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Coumarins and derivatives

Aromatic organic compounds that contain a benzene ring with two adjacent hydrogen atoms replaced by a lactone-like chain, forming a second six-membered heterocycle that shares two carbons with the benzene ring with the formula: C9H6O2.
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1 – 15 of 144 results
1

MilliporeSigma™ 7-Amino-4-methylcoumarin, Calbiochem™,

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-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

PubChem CID 92249
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-methyl-2H-chromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
2

6,7-Dihydroxycoumarin, 98+%

CAS: 305-01-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00006874 InChI Key: ILEDWLMCKZNDJK-UHFFFAOYSA-N Synonym: esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon PubChem CID: 5281416 ChEBI: CHEBI:490095 IUPAC Name: 6,7-dihydroxychromen-2-one SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O

PubChem CID 5281416
CAS 305-01-1
Molecular Weight (g/mol) 178.143
ChEBI CHEBI:490095
MDL Number MFCD00006874
SMILES C1=CC(=O)OC2=CC(=C(C=C21)O)O
Synonym esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon
IUPAC Name 6,7-dihydroxychromen-2-one
InChI Key ILEDWLMCKZNDJK-UHFFFAOYSA-N
Molecular Formula C9H6O4
3

6-Methylcoumarin, 99%

CAS: 92-48-8 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00006875 InChI Key: FXFYOPQLGGEACP-UHFFFAOYSA-N Synonym: 6-methylcoumarin,6-methylbenzopyrone,6-methyl-2h-chromen-2-one,toncarine,6-methyl coumarin,methyl coumarin,6-methylcoumarinic anhydride,coumarin, 6-methyl,6-methyl-1,2-benzopyrone,6-methylcumarin PubChem CID: 7092 ChEBI: CHEBI:563586 IUPAC Name: 6-methylchromen-2-one SMILES: CC1=CC=C2OC(=O)C=CC2=C1

PubChem CID 7092
CAS 92-48-8
Molecular Weight (g/mol) 160.17
ChEBI CHEBI:563586
MDL Number MFCD00006875
SMILES CC1=CC=C2OC(=O)C=CC2=C1
Synonym 6-methylcoumarin,6-methylbenzopyrone,6-methyl-2h-chromen-2-one,toncarine,6-methyl coumarin,methyl coumarin,6-methylcoumarinic anhydride,coumarin, 6-methyl,6-methyl-1,2-benzopyrone,6-methylcumarin
IUPAC Name 6-methylchromen-2-one
InChI Key FXFYOPQLGGEACP-UHFFFAOYSA-N
Molecular Formula C10H8O2
4

7-Diethylamino-4-methylcoumarin, 99%

CAS: 91-44-1 Molecular Formula: C14H17NO2 Molecular Weight (g/mol): 231.295 MDL Number: MFCD00006864 InChI Key: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonym: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p PubChem CID: 7050 ChEBI: CHEBI:51938 IUPAC Name: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C

PubChem CID 7050
CAS 91-44-1
Molecular Weight (g/mol) 231.295
ChEBI CHEBI:51938
MDL Number MFCD00006864
SMILES CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
Synonym 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p
IUPAC Name 7-(diethylamino)-4-methylchromen-2-one
InChI Key AFYCEAFSNDLKSX-UHFFFAOYSA-N
Molecular Formula C14H17NO2
5

3-Acetylcoumarin, 98+%

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
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
6

5,7-Dihydroxy-4-methylcoumarin, 98%

CAS: 2107-76-8 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016966 InChI Key: QNVWGEJMXOQQPM-UHFFFAOYSA-N Synonym: 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m PubChem CID: 5354284 IUPAC Name: 5,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O

PubChem CID 5354284
CAS 2107-76-8
Molecular Weight (g/mol) 192.17
MDL Number MFCD00016966
SMILES CC1=CC(=O)OC2=CC(=CC(=C12)O)O
Synonym 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m
IUPAC Name 5,7-dihydroxy-4-methylchromen-2-one
InChI Key QNVWGEJMXOQQPM-UHFFFAOYSA-N
Molecular Formula C10H8O4
7

7-Hydroxycoumarin, 99%

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 SMILES: OC1=CC=C2C=CC(=O)OC2=C1

PubChem CID 5281426
CAS 93-35-6
Molecular Weight (g/mol) 162.14
ChEBI CHEBI:27510
MDL Number MFCD00006878
SMILES OC1=CC=C2C=CC(=O)OC2=C1
Synonym 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
InChI Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula C9H6O3
8

6,7-Dihydroxy-4-methylcoumarin, 97%

CAS: 529-84-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006859 InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one PubChem CID: 5319502 IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O

PubChem CID 5319502
CAS 529-84-0
Molecular Weight (g/mol) 192.17
MDL Number MFCD00006859
SMILES CC1=CC(=O)OC2=CC(=C(C=C12)O)O
Synonym 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one
IUPAC Name 6,7-dihydroxy-4-methylchromen-2-one
InChI Key KVOJTUXGYQVLAJ-UHFFFAOYSA-N
Molecular Formula C10H8O4
9

7-Amino-4-(trifluoromethyl)coumarin, 97%

CAS: 53518-15-3 Molecular Formula: C10H6F3NO2 Molecular Weight (g/mol): 229.158 MDL Number: MFCD00006858 InChI Key: JBNOVHJXQSHGRL-UHFFFAOYSA-N Synonym: coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017 PubChem CID: 100641 ChEBI: CHEBI:51772 IUPAC Name: 7-amino-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F

PubChem CID 100641
CAS 53518-15-3
Molecular Weight (g/mol) 229.158
ChEBI CHEBI:51772
MDL Number MFCD00006858
SMILES C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F
Synonym coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017
IUPAC Name 7-amino-4-(trifluoromethyl)chromen-2-one
InChI Key JBNOVHJXQSHGRL-UHFFFAOYSA-N
Molecular Formula C10H6F3NO2
10

4-Methylumbelliferyl sulfate potassium salt, 98%

CAS: 15220-11-8 Molecular Formula: C10H7KO6S Molecular Weight (g/mol): 294.318 MDL Number: MFCD00016970 InChI Key: CSOCSPXOODWGLJ-UHFFFAOYSA-M Synonym: 4-methylumbelliferyl sulfate potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt,4-methylumbelliferyl sulfate, potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt 1:1,potassium 4-methyl-2-oxo-2h-chromen-7-yl sulfate,potassium 4-methyl-2-oxochromen-7-yl sulfate,c10h7o6s.k,potassium 4-methyl-2-oxo-2h-1-benzopyran-7-yl sulphate,potassium 4-methylumbelliferyl sulfate PubChem CID: 5044226 IUPAC Name: potassium;(4-methyl-2-oxochromen-7-yl) sulfate SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)[O-].[K+]

PubChem CID 5044226
CAS 15220-11-8
Molecular Weight (g/mol) 294.318
MDL Number MFCD00016970
SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)[O-].[K+]
Synonym 4-methylumbelliferyl sulfate potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt,4-methylumbelliferyl sulfate, potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt 1:1,potassium 4-methyl-2-oxo-2h-chromen-7-yl sulfate,potassium 4-methyl-2-oxochromen-7-yl sulfate,c10h7o6s.k,potassium 4-methyl-2-oxo-2h-1-benzopyran-7-yl sulphate,potassium 4-methylumbelliferyl sulfate
IUPAC Name potassium;(4-methyl-2-oxochromen-7-yl) sulfate
InChI Key CSOCSPXOODWGLJ-UHFFFAOYSA-M
Molecular Formula C10H7KO6S
11

7-Ethoxycoumarin, 99%

CAS: 31005-02-4 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00006877 InChI Key: LIFAQMGORKPVDH-UHFFFAOYSA-N Synonym: 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx PubChem CID: 35703 ChEBI: CHEBI:28184 IUPAC Name: 7-ethoxychromen-2-one SMILES: CCOC1=CC2=C(C=C1)C=CC(=O)O2

PubChem CID 35703
CAS 31005-02-4
Molecular Weight (g/mol) 190.198
ChEBI CHEBI:28184
MDL Number MFCD00006877
SMILES CCOC1=CC2=C(C=C1)C=CC(=O)O2
Synonym 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx
IUPAC Name 7-ethoxychromen-2-one
InChI Key LIFAQMGORKPVDH-UHFFFAOYSA-N
Molecular Formula C11H10O3
12

Ethyl coumarin-3-carboxylate, 98%

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
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
13

7-Methoxycoumarin, 98+%

CAS: 531-59-9 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00006876 InChI Key: LIIALPBMIOVAHH-UHFFFAOYSA-N Synonym: 7-methoxycoumarin,herniarin,ayapanin,methylumbelliferone,7-methoxy-2h-chromen-2-one,herniarine,7-methoxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one, 7-methoxy,coumarin, 7-methoxy,methoxycourmarin, 7 PubChem CID: 10748 ChEBI: CHEBI:5679 IUPAC Name: 7-methoxychromen-2-one SMILES: COC1=CC2=C(C=C1)C=CC(=O)O2

PubChem CID 10748
CAS 531-59-9
Molecular Weight (g/mol) 176.171
ChEBI CHEBI:5679
MDL Number MFCD00006876
SMILES COC1=CC2=C(C=C1)C=CC(=O)O2
Synonym 7-methoxycoumarin,herniarin,ayapanin,methylumbelliferone,7-methoxy-2h-chromen-2-one,herniarine,7-methoxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one, 7-methoxy,coumarin, 7-methoxy,methoxycourmarin, 7
IUPAC Name 7-methoxychromen-2-one
InChI Key LIIALPBMIOVAHH-UHFFFAOYSA-N
Molecular Formula C10H8O3
14

6-Nitrocoumarin, 98+%

CAS: 2725-81-7 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD00016973 InChI Key: RMERXEXZXIVNBF-UHFFFAOYSA-N PubChem CID: 75944 IUPAC Name: 6-nitrochromen-2-one SMILES: C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]

PubChem CID 75944
CAS 2725-81-7
Molecular Weight (g/mol) 191.142
MDL Number MFCD00016973
SMILES C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]
IUPAC Name 6-nitrochromen-2-one
InChI Key RMERXEXZXIVNBF-UHFFFAOYSA-N
Molecular Formula C9H5NO4
15

7-Hydroxy-4-(trifluoromethyl)coumarin, 98%

CAS: 575-03-1 Molecular Formula: C10H5F3O3 Molecular Weight (g/mol): 230.142 MDL Number: MFCD00037578 InChI Key: CCKWMCUOHJAVOL-UHFFFAOYSA-N Synonym: 7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu PubChem CID: 5375667 IUPAC Name: 7-hydroxy-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F

PubChem CID 5375667
CAS 575-03-1
Molecular Weight (g/mol) 230.142
MDL Number MFCD00037578
SMILES C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
Synonym 7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu
IUPAC Name 7-hydroxy-4-(trifluoromethyl)chromen-2-one
InChI Key CCKWMCUOHJAVOL-UHFFFAOYSA-N
Molecular Formula C10H5F3O3