Coumarins and derivatives

Coumarins and derivatives
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7-Amino-4-methylcoumarin, 98%, Thermo Scientific Chemicals
CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12
PubChem CID | 92249 |
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CAS | 26093-31-2 |
Molecular Weight (g/mol) | 175.19 |
ChEBI | CHEBI:51771 |
MDL Number | MFCD00006868 |
SMILES | CC1=CC(=O)OC2=CC(N)=CC=C12 |
Synonym | 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x |
IUPAC Name | 7-amino-4-methylchromen-2-one |
InChI Key | GLNDAGDHSLMOKX-UHFFFAOYSA-N |
Molecular Formula | C10H9NO2 |
Coumarin-3-carboxylic acid, 98%, Thermo Scientific Chemicals
CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.15 MDL Number: MFCD00006852 InChI Key: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van PubChem CID: 10752 IUPAC Name: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
PubChem CID | 10752 |
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CAS | 531-81-7 |
Molecular Weight (g/mol) | 190.15 |
MDL Number | MFCD00006852 |
SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O |
Synonym | coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van |
IUPAC Name | 2-oxochromene-3-carboxylic acid |
InChI Key | ACMLKANOGIVEPB-UHFFFAOYSA-N |
Molecular Formula | C10H6O4 |
3-Acetylcoumarin, 98+%, Thermo Scientific Chemicals
CAS: 3949-36-8 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00006853 InChI Key: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonym: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 PubChem CID: 77553 IUPAC Name: 3-acetylchromen-2-one SMILES: CC(=O)C1=CC2=CC=CC=C2OC1=O
PubChem CID | 77553 |
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CAS | 3949-36-8 |
Molecular Weight (g/mol) | 188.182 |
MDL Number | MFCD00006853 |
SMILES | CC(=O)C1=CC2=CC=CC=C2OC1=O |
Synonym | 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 |
IUPAC Name | 3-acetylchromen-2-one |
InChI Key | CSPIFKKOBWYOEX-UHFFFAOYSA-N |
Molecular Formula | C11H8O3 |
Scopoletin, 95%, Thermo Scientific Chemicals
CAS: 92-61-5 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006872 InChI Key: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC Name: 7-hydroxy-6-methoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O
PubChem CID | 5280460 |
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CAS | 92-61-5 |
Molecular Weight (g/mol) | 192.17 |
ChEBI | CHEBI:17488 |
MDL Number | MFCD00006872 |
SMILES | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
Synonym | scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin |
IUPAC Name | 7-hydroxy-6-methoxychromen-2-one |
InChI Key | RODXRVNMMDRFIK-UHFFFAOYSA-N |
Molecular Formula | C10H8O4 |
Coumarin-3-carboxylic acid, 98%, Thermo Scientific Chemicals
CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00006852 InChI Key: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van PubChem CID: 10752 IUPAC Name: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
PubChem CID | 10752 |
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CAS | 531-81-7 |
Molecular Weight (g/mol) | 190.154 |
MDL Number | MFCD00006852 |
SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O |
Synonym | coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van |
IUPAC Name | 2-oxochromene-3-carboxylic acid |
InChI Key | ACMLKANOGIVEPB-UHFFFAOYSA-N |
Molecular Formula | C10H6O4 |
Esculin hydrate, 97%, Thermo Scientific Chemicals
CAS: 531-75-9 Molecular Formula: C15H16O9 Molecular Weight (g/mol): 340.28 MDL Number: MFCD00149492 InChI Key: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonym: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
PubChem CID | 5281417 |
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CAS | 531-75-9 |
Molecular Weight (g/mol) | 340.28 |
ChEBI | CHEBI:4853 |
MDL Number | MFCD00149492 |
SMILES | OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
Synonym | esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside |
IUPAC Name | 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
InChI Key | XHCADAYNFIFUHF-TYKRLAFXNA-N |
Molecular Formula | C15H16O9 |
Dicumarol, 99%, Thermo Scientific Chemicals
CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
PubChem CID | 54676038 |
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CAS | 66-76-2 |
Molecular Weight (g/mol) | 336.30 |
ChEBI | CHEBI:4513 |
MDL Number | MFCD00006857 |
SMILES | OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12 |
Synonym | dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl |
IUPAC Name | 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one |
InChI Key | DOBMPNYZJYQDGZ-UHFFFAOYSA-N |
Molecular Formula | C19H12O6 |
4-(5-bromothien-2-yl)pyridine, 97%, Thermo Scientific™
CAS: 2199-93-1 Molecular Formula: C11H7BrO3 Molecular Weight (g/mol): 267.08 MDL Number: MFCD00024075 InChI Key: XFQYOFLFNKCHLG-UHFFFAOYSA-N Synonym: 3-acetyl-6-bromocoumarin,3-acetyl-6-bromo-2h-chromen-2-one,3-acetyl-6-bromo-chromen-2-one,2h-1-benzopyran-2-one,3-acetyl-6-bromo,3-acetyl-6-bromo-2-oxochromene,pubchem13336,maybridge1_000212,zerenex e/1034014,6-bromanyl-3-ethanoyl-chromen-2-one PubChem CID: 304813 IUPAC Name: 3-acetyl-6-bromochromen-2-one SMILES: CC(=O)C1=CC2=CC(Br)=CC=C2OC1=O
PubChem CID | 304813 |
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CAS | 2199-93-1 |
Molecular Weight (g/mol) | 267.08 |
MDL Number | MFCD00024075 |
SMILES | CC(=O)C1=CC2=CC(Br)=CC=C2OC1=O |
Synonym | 3-acetyl-6-bromocoumarin,3-acetyl-6-bromo-2h-chromen-2-one,3-acetyl-6-bromo-chromen-2-one,2h-1-benzopyran-2-one,3-acetyl-6-bromo,3-acetyl-6-bromo-2-oxochromene,pubchem13336,maybridge1_000212,zerenex e/1034014,6-bromanyl-3-ethanoyl-chromen-2-one |
IUPAC Name | 3-acetyl-6-bromochromen-2-one |
InChI Key | XFQYOFLFNKCHLG-UHFFFAOYSA-N |
Molecular Formula | C11H7BrO3 |
4-(Bromomethyl)-7-methoxycoumarin, 97%, Thermo Scientific Chemicals
CAS: 35231-44-8 Molecular Formula: C11H9BrO3 Molecular Weight (g/mol): 269.09 MDL Number: MFCD00006869 InChI Key: CTENSLORRMFPDH-UHFFFAOYSA-N Synonym: 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin PubChem CID: 121894 IUPAC Name: 4-(bromomethyl)-7-methoxychromen-2-one SMILES: COC1=CC=C2C(CBr)=CC(=O)OC2=C1
PubChem CID | 121894 |
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CAS | 35231-44-8 |
Molecular Weight (g/mol) | 269.09 |
MDL Number | MFCD00006869 |
SMILES | COC1=CC=C2C(CBr)=CC(=O)OC2=C1 |
Synonym | 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin |
IUPAC Name | 4-(bromomethyl)-7-methoxychromen-2-one |
InChI Key | CTENSLORRMFPDH-UHFFFAOYSA-N |
Molecular Formula | C11H9BrO3 |
Ethyl coumarin-3-carboxylate, 98%, Thermo Scientific Chemicals
CAS: 1846-76-0 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00016964 InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N Synonym: ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester PubChem CID: 15800 IUPAC Name: ethyl 2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O
PubChem CID | 15800 |
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CAS | 1846-76-0 |
Molecular Weight (g/mol) | 218.208 |
MDL Number | MFCD00016964 |
SMILES | CCOC(=O)C1=CC2=CC=CC=C2OC1=O |
Synonym | ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester |
IUPAC Name | ethyl 2-oxochromene-3-carboxylate |
InChI Key | XKHPEMKBJGUYCM-UHFFFAOYSA-N |
Molecular Formula | C12H10O4 |
Coumarin, 98%, Thermo Scientific Chemicals
CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone PubChem CID: 323 ChEBI: CHEBI:28794 SMILES: O=C1OC2=CC=CC=C2C=C1
PubChem CID | 323 |
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CAS | 91-64-5 |
Molecular Weight (g/mol) | 146.15 |
ChEBI | CHEBI:28794 |
MDL Number | MFCD00006850 |
SMILES | O=C1OC2=CC=CC=C2C=C1 |
Synonym | coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone |
InChI Key | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
Molecular Formula | C9H6O2 |
4-Methylumbelliferone, 97%, Thermo Scientific Chemicals
CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
PubChem CID | 5280567 |
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CAS | 90-33-5 |
Molecular Weight (g/mol) | 176.17 |
ChEBI | CHEBI:17224 |
MDL Number | MFCD00006866 |
SMILES | CC1=CC(=O)OC2=CC(O)=CC=C12 |
Synonym | 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic |
IUPAC Name | 7-hydroxy-4-methylchromen-2-one |
InChI Key | HSHNITRMYYLLCV-UHFFFAOYSA-N |
Molecular Formula | C10H8O3 |
6-Bromocoumarin-3-carboxylic acid, 97%, Thermo Scientific Chemicals
CAS: 2199-87-3 Molecular Formula: C10H5BrO4 Molecular Weight (g/mol): 269.05 MDL Number: MFCD00047640 InChI Key: XFQHPAXNKDYMOX-UHFFFAOYSA-N Synonym: 6-bromo-2-oxo-2h-chromene-3-carboxylic acid,6-bromocoumarin-3-carboxylic acid,acmc-20alzr,maybridge1_000837,6-bromo-3-carboxy-coumarin,6-bromo-coumarin-3-carboxylic acid,2-oxo-6-bromo-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylicacid,6-bromo-2-oxo,2h-1-benzopyran-3-carboxylicacid, 6-bromo-2-oxo PubChem CID: 694463 IUPAC Name: 6-bromo-2-oxochromene-3-carboxylic acid SMILES: C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)O
PubChem CID | 694463 |
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CAS | 2199-87-3 |
Molecular Weight (g/mol) | 269.05 |
MDL Number | MFCD00047640 |
SMILES | C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)O |
Synonym | 6-bromo-2-oxo-2h-chromene-3-carboxylic acid,6-bromocoumarin-3-carboxylic acid,acmc-20alzr,maybridge1_000837,6-bromo-3-carboxy-coumarin,6-bromo-coumarin-3-carboxylic acid,2-oxo-6-bromo-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylicacid,6-bromo-2-oxo,2h-1-benzopyran-3-carboxylicacid, 6-bromo-2-oxo |
IUPAC Name | 6-bromo-2-oxochromene-3-carboxylic acid |
InChI Key | XFQHPAXNKDYMOX-UHFFFAOYSA-N |
Molecular Formula | C10H5BrO4 |
7-Methoxycoumarin-4-acetic acid, Thermo Scientific Chemicals
CAS: 62935-72-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00009774 InChI Key: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonym: 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh PubChem CID: 342221 ChEBI: CHEBI:51666 IUPAC Name: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1
PubChem CID | 342221 |
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CAS | 62935-72-2 |
Molecular Weight (g/mol) | 234.21 |
ChEBI | CHEBI:51666 |
MDL Number | MFCD00009774 |
SMILES | COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1 |
Synonym | 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh |
IUPAC Name | 2-(7-methoxy-2-oxochromen-4-yl)acetic acid |
InChI Key | ZEKAXIFHLIITGV-UHFFFAOYSA-N |
Molecular Formula | C12H10O5 |