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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91 – 105 of 579 results

Ethyl 7-Hydroxycoumarin-3-carboxylate 98.0+%, TCI America™

CAS: 6093-71-6 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.207 MDL Number: MFCD00017641 InChI Key: IETDBZQIWIJQJG-UHFFFAOYSA-N Synonym: 7-Hydroxycoumarin-3-carboxylic Acid Ethyl Ester, Ethyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid Ethyl Ester PubChem CID: 5289613 IUPAC Name: ethyl 7-hydroxy-2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O

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PubChem CID	5289613
CAS	6093-71-6
Molecular Weight (g/mol)	234.207
MDL Number	MFCD00017641
SMILES	CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
Synonym	7-Hydroxycoumarin-3-carboxylic Acid Ethyl Ester, Ethyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid Ethyl Ester
IUPAC Name	ethyl 7-hydroxy-2-oxochromene-3-carboxylate
InChI Key	IETDBZQIWIJQJG-UHFFFAOYSA-N
Molecular Formula	C12H10O5

Coumarin 153 98.0+%, TCI America™

CAS: 53518-18-6 Molecular Formula: C16H14F3NO2 Molecular Weight (g/mol): 309.288 MDL Number: MFCD00041843 InChI Key: VSSSHNJONFTXHS-UHFFFAOYSA-N Synonym: coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one PubChem CID: 72652 ChEBI: CHEBI:51773 SMILES: C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1

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PubChem CID	72652
CAS	53518-18-6
Molecular Weight (g/mol)	309.288
ChEBI	CHEBI:51773
MDL Number	MFCD00041843
SMILES	C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1
Synonym	coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one
InChI Key	VSSSHNJONFTXHS-UHFFFAOYSA-N
Molecular Formula	C16H14F3NO2

Coumarin 545 97.0+%, TCI America™

CAS: 85642-11-1 Molecular Formula: C22H18N2O2S Molecular Weight (g/mol): 374.458 InChI Key: WYZWJLZUSHFFOR-UHFFFAOYSA-N Synonym: 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 5237252 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1

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PubChem CID	5237252
CAS	85642-11-1
Molecular Weight (g/mol)	374.458
SMILES	C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1
Synonym	10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key	WYZWJLZUSHFFOR-UHFFFAOYSA-N
Molecular Formula	C22H18N2O2S

Coumarin-3-carbonitrile 98.0+%, TCI America™

CAS: 15119-34-3 Molecular Formula: C10H5NO2 Molecular Weight (g/mol): 171.16 MDL Number: MFCD00115699 InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N Synonym: 3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq PubChem CID: 203763 IUPAC Name: 2-oxo-2H-chromene-3-carbonitrile SMILES: O=C1OC2=CC=CC=C2C=C1C#N

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PubChem CID	203763
CAS	15119-34-3
Molecular Weight (g/mol)	171.16
MDL Number	MFCD00115699
SMILES	O=C1OC2=CC=CC=C2C=C1C#N
Synonym	3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq
IUPAC Name	2-oxo-2H-chromene-3-carbonitrile
InChI Key	QKJALQPLNMEDAV-UHFFFAOYSA-N
Molecular Formula	C10H5NO2

3-Cyanoumbelliferone 98.0+%, TCI America™

CAS: 19088-73-4 Molecular Formula: C10H5NO3 Molecular Weight (g/mol): 187.15 MDL Number: MFCD00037480 InChI Key: IJQYTHQDUDCJEQ-UHFFFAOYSA-N Synonym: 3-Cyano-7-hydroxycoumarin PubChem CID: 5393173 IUPAC Name: 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile SMILES: OC1=CC=C2C=C(C#N)C(=O)OC2=C1

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PubChem CID	5393173
CAS	19088-73-4
Molecular Weight (g/mol)	187.15
MDL Number	MFCD00037480
SMILES	OC1=CC=C2C=C(C#N)C(=O)OC2=C1
Synonym	3-Cyano-7-hydroxycoumarin
IUPAC Name	7-hydroxy-2-oxo-2H-chromene-3-carbonitrile
InChI Key	IJQYTHQDUDCJEQ-UHFFFAOYSA-N
Molecular Formula	C10H5NO3

6-Chloro-4-hydroxycoumarin 97.0+%, TCI America™

CAS: 19484-57-2 Molecular Formula: C9H5ClO3 Molecular Weight (g/mol): 196.59 MDL Number: MFCD00239399 InChI Key: UJHIADILZZWIED-UHFFFAOYSA-N Synonym: 6-chloro-4-hydroxycoumarin,6-chloro-4-hydroxy-2h-chromen-2-one,4-hydroxy-6-chlorocoumarin,6-chloro-4-hydroxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one,6-chloro-4-hydroxy,6-chloro-2-hydroxychromen-4-one,6-chloro-2-hydroxy-4h-chromen-4-one,pubchem24343,acmc-1bsui,6-chlor-4-oxy-cumarin PubChem CID: 54686348 IUPAC Name: 6-chloro-2-hydroxy-4H-chromen-4-one SMILES: OC1=CC(=O)C2=CC(Cl)=CC=C2O1

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PubChem CID	54686348
CAS	19484-57-2
Molecular Weight (g/mol)	196.59
MDL Number	MFCD00239399
SMILES	OC1=CC(=O)C2=CC(Cl)=CC=C2O1
Synonym	6-chloro-4-hydroxycoumarin,6-chloro-4-hydroxy-2h-chromen-2-one,4-hydroxy-6-chlorocoumarin,6-chloro-4-hydroxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one,6-chloro-4-hydroxy,6-chloro-2-hydroxychromen-4-one,6-chloro-2-hydroxy-4h-chromen-4-one,pubchem24343,acmc-1bsui,6-chlor-4-oxy-cumarin
IUPAC Name	6-chloro-2-hydroxy-4H-chromen-4-one
InChI Key	UJHIADILZZWIED-UHFFFAOYSA-N
Molecular Formula	C9H5ClO3

6,7-Dimethoxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 4281-40-7 Molecular Formula: C12H12O4 Molecular Weight (g/mol): 220.224 MDL Number: MFCD00012338 InChI Key: GBYDSYPGGDKWGZ-UHFFFAOYSA-N PubChem CID: 77966 IUPAC Name: 6,7-dimethoxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC

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PubChem CID	77966
CAS	4281-40-7
Molecular Weight (g/mol)	220.224
MDL Number	MFCD00012338
SMILES	CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC
IUPAC Name	6,7-dimethoxy-4-methylchromen-2-one
InChI Key	GBYDSYPGGDKWGZ-UHFFFAOYSA-N
Molecular Formula	C12H12O4

7-(Diethylamino)coumarin-3-carbonitrile 98.0+%, TCI America™

CAS: 51473-74-6 Molecular Formula: C14H14N2O2 Molecular Weight (g/mol): 242.278 MDL Number: MFCD00068688 InChI Key: LOUYEVRVQGFIFB-UHFFFAOYSA-N Synonym: 3-Cyano-7-(diethylamino)coumarin PubChem CID: 688937 IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carbonitrile SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N

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PubChem CID	688937
CAS	51473-74-6
Molecular Weight (g/mol)	242.278
MDL Number	MFCD00068688
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N
Synonym	3-Cyano-7-(diethylamino)coumarin
IUPAC Name	7-(diethylamino)-2-oxochromene-3-carbonitrile
InChI Key	LOUYEVRVQGFIFB-UHFFFAOYSA-N
Molecular Formula	C14H14N2O2

4-Hydroxycoumarin 98.0+%, TCI America™

CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd PubChem CID: 54682930 ChEBI: CHEBI:40070 IUPAC Name: 2-hydroxy-4H-chromen-4-one SMILES: OC1=CC(=O)C2=CC=CC=C2O1

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PubChem CID	54682930
CAS	1076-38-6
Molecular Weight (g/mol)	162.14
ChEBI	CHEBI:40070
MDL Number	MFCD00006856
SMILES	OC1=CC(=O)C2=CC=CC=C2O1
Synonym	4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd
IUPAC Name	2-hydroxy-4H-chromen-4-one
InChI Key	OWBBAPRUYLEWRR-UHFFFAOYSA-N
Molecular Formula	C9H6O3

100

7-Methoxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 2555-28-4 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00009773 InChI Key: UDFPKNSWSYBIHO-UHFFFAOYSA-N Synonym: 7-methoxy-4-methylcoumarin,7-methoxy-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-methoxy-4-methyl,4-methylherniarin,hymecromone methyl ether,herniarin, 4-methyl,7-methoxy-4-methyl-chromen-2-one,4-methyl-7-methoxycoumarin,coumarin,4-methyl-7-methoxy,coumarin, 7-methoxy-4-methyl PubChem CID: 390807 IUPAC Name: 7-methoxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC

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PubChem CID	390807
CAS	2555-28-4
Molecular Weight (g/mol)	190.198
MDL Number	MFCD00009773
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)OC
Synonym	7-methoxy-4-methylcoumarin,7-methoxy-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-methoxy-4-methyl,4-methylherniarin,hymecromone methyl ether,herniarin, 4-methyl,7-methoxy-4-methyl-chromen-2-one,4-methyl-7-methoxycoumarin,coumarin,4-methyl-7-methoxy,coumarin, 7-methoxy-4-methyl
IUPAC Name	7-methoxy-4-methylchromen-2-one
InChI Key	UDFPKNSWSYBIHO-UHFFFAOYSA-N
Molecular Formula	C11H10O3

101

6-Methoxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 6295-35-8 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00635101 InChI Key: KNGPIBWCWOQBEK-UHFFFAOYSA-N PubChem CID: 223821 IUPAC Name: 6-methoxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=C1C=C(C=C2)OC

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PubChem CID	223821
CAS	6295-35-8
Molecular Weight (g/mol)	190.198
MDL Number	MFCD00635101
SMILES	CC1=CC(=O)OC2=C1C=C(C=C2)OC
IUPAC Name	6-methoxy-4-methylchromen-2-one
InChI Key	KNGPIBWCWOQBEK-UHFFFAOYSA-N
Molecular Formula	C11H10O3

102

7-Methoxycoumarin 98.0+%, TCI America™

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

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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

103

8-Methoxy-4-methylbenzo[g]coumarin 98.0+%, TCI America™

CAS: 69169-71-7 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00445784 InChI Key: GWFUYESISQUIHB-UHFFFAOYSA-N Synonym: 8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one PubChem CID: 12448345 IUPAC Name: 8-methoxy-4-methyl-2H-benzo[g]chromen-2-one SMILES: COC1=CC=C2C=C3C(C)=CC(=O)OC3=CC2=C1

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PubChem CID	12448345
CAS	69169-71-7
Molecular Weight (g/mol)	240.26
MDL Number	MFCD00445784
SMILES	COC1=CC=C2C=C3C(C)=CC(=O)OC3=CC2=C1
Synonym	8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one
IUPAC Name	8-methoxy-4-methyl-2H-benzo[g]chromen-2-one
InChI Key	GWFUYESISQUIHB-UHFFFAOYSA-N
Molecular Formula	C15H12O3

104

N-Succinimidyl 7-Methoxycoumarin-3-carboxylate 98.0+%, TCI America™

CAS: 150321-92-9 Molecular Formula: C15H11NO7 Molecular Weight (g/mol): 317.253 MDL Number: MFCD00467593 InChI Key: JMQAALOXLOSYCQ-UHFFFAOYSA-N Synonym: 7-Methoxycoumarin-3-carboxylic Acid N-Succinimidyl Ester PubChem CID: 2760554 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 7-methoxy-2-oxochromene-3-carboxylate SMILES: COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O

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PubChem CID	2760554
CAS	150321-92-9
Molecular Weight (g/mol)	317.253
MDL Number	MFCD00467593
SMILES	COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O
Synonym	7-Methoxycoumarin-3-carboxylic Acid N-Succinimidyl Ester
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 7-methoxy-2-oxochromene-3-carboxylate
InChI Key	JMQAALOXLOSYCQ-UHFFFAOYSA-N
Molecular Formula	C15H11NO7

105

Hexyl 7-(Diethylamino)coumarin-3-carboxylate 98.0+%, TCI America™

CAS: 851963-03-6 Molecular Formula: C20H27NO4 Molecular Weight (g/mol): 345.439 MDL Number: MFCD06797113 InChI Key: TYEFUKSNTLMNBV-UHFFFAOYSA-N Synonym: 7-(Diethylamino)coumarin-3-carboxylic Acid Hexyl Ester PubChem CID: 44629745 IUPAC Name: hexyl 7-(diethylamino)-2-oxochromene-3-carboxylate SMILES: CCCCCCOC(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

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Specifications

PubChem CID	44629745
CAS	851963-03-6
Molecular Weight (g/mol)	345.439
MDL Number	MFCD06797113
SMILES	CCCCCCOC(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O
Synonym	7-(Diethylamino)coumarin-3-carboxylic Acid Hexyl Ester
IUPAC Name	hexyl 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI Key	TYEFUKSNTLMNBV-UHFFFAOYSA-N
Molecular Formula	C20H27NO4

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