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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106 – 120 of 573 results

106

Dicoumarol 98.0+%, TCI America™

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-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12

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PubChem CID	54676038
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-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one
InChI Key	DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Molecular Formula	C19H12O6

107

Ethyl 6-Bromocoumarin-3-carboxylate 98.0+%, TCI America™

CAS: 2199-90-8 Molecular Formula: C12H9BrO4 Molecular Weight (g/mol): 297.104 MDL Number: MFCD00124584 InChI Key: RXGDNKCWEKUYQA-UHFFFAOYSA-N Synonym: 6-Bromocoumarin-3-carboxylic Acid Ethyl Ester PubChem CID: 691747 IUPAC Name: ethyl 6-bromo-2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O

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Specifications

PubChem CID	691747
CAS	2199-90-8
Molecular Weight (g/mol)	297.104
MDL Number	MFCD00124584
SMILES	CCOC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O
Synonym	6-Bromocoumarin-3-carboxylic Acid Ethyl Ester
IUPAC Name	ethyl 6-bromo-2-oxochromene-3-carboxylate
InChI Key	RXGDNKCWEKUYQA-UHFFFAOYSA-N
Molecular Formula	C12H9BrO4

108

N-Succinimidyl 7-Hydroxy-4-methylcoumarin-3-acetate 90.0+%, TCI America™

CAS: 96735-88-5 Molecular Formula: C16H13NO7 Molecular Weight (g/mol): 331.28 MDL Number: MFCD00467590 InChI Key: VODLZKHEKKGCBG-UHFFFAOYSA-N Synonym: 7-Hydroxy-4-methylcoumarin-3-acetic Acid N-Succinimidyl Ester, N-Succinimidyl 4-Methylumbelliferone-3-acetate, 4-Methylumbelliferone-3-acetic Acid N-Succinimidyl Ester PubChem CID: 5413011 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O

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Specifications

PubChem CID	5413011
CAS	96735-88-5
Molecular Weight (g/mol)	331.28
MDL Number	MFCD00467590
SMILES	CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O
Synonym	7-Hydroxy-4-methylcoumarin-3-acetic Acid N-Succinimidyl Ester, N-Succinimidyl 4-Methylumbelliferone-3-acetate, 4-Methylumbelliferone-3-acetic Acid N-Succinimidyl Ester
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
InChI Key	VODLZKHEKKGCBG-UHFFFAOYSA-N
Molecular Formula	C16H13NO7

109

Coumarin 525 97.0+%, TCI America™

CAS: 87331-47-3 Molecular Formula: C22H18N2O3 Molecular Weight (g/mol): 358.397 InChI Key: XYFLALJXCJWBPG-UHFFFAOYSA-N Synonym: 10-(2-Benzoxazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 1371421 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1

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PubChem CID	1371421
CAS	87331-47-3
Molecular Weight (g/mol)	358.397
SMILES	C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1
Synonym	10-(2-Benzoxazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key	XYFLALJXCJWBPG-UHFFFAOYSA-N
Molecular Formula	C22H18N2O3

110

7-Ethynylcoumarin 98.0+%, TCI America™

CAS: 270088-04-5 Molecular Formula: C11H6O2 Molecular Weight (g/mol): 170.17 MDL Number: MFCD28668960 InChI Key: NGKXZMHLZMPKFE-UHFFFAOYSA-N PubChem CID: 54110018 IUPAC Name: 7-ethynyl-2H-chromen-2-one SMILES: O=C1OC2=CC(=CC=C2C=C1)C#C

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PubChem CID	54110018
CAS	270088-04-5
Molecular Weight (g/mol)	170.17
MDL Number	MFCD28668960
SMILES	O=C1OC2=CC(=CC=C2C=C1)C#C
IUPAC Name	7-ethynyl-2H-chromen-2-one
InChI Key	NGKXZMHLZMPKFE-UHFFFAOYSA-N
Molecular Formula	C11H6O2

111

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

CAS: 50995-74-9 Molecular Formula: C14H15NO4 Molecular Weight (g/mol): 261.277 MDL Number: MFCD00068721 InChI Key: WHCPTFFIERCDSB-UHFFFAOYSA-N PubChem CID: 659294 IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carboxylic acid SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O

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PubChem CID	659294
CAS	50995-74-9
Molecular Weight (g/mol)	261.277
MDL Number	MFCD00068721
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O
IUPAC Name	7-(diethylamino)-2-oxochromene-3-carboxylic acid
InChI Key	WHCPTFFIERCDSB-UHFFFAOYSA-N
Molecular Formula	C14H15NO4

112

7-(Diethylamino)-4-(trifluoromethyl)coumarin 98.0+%, TCI America™

CAS: 41934-47-8 Molecular Formula: C14H14F3NO2 Molecular Weight (g/mol): 285.266 MDL Number: MFCD00057313 InChI Key: UIMOXRDVWDLOHW-UHFFFAOYSA-N Synonym: Coumarin 481 PubChem CID: 94523 ChEBI: CHEBI:51777 IUPAC Name: 7-(diethylamino)-4-(trifluoromethyl)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

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PubChem CID	94523
CAS	41934-47-8
Molecular Weight (g/mol)	285.266
ChEBI	CHEBI:51777
MDL Number	MFCD00057313
SMILES	CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
Synonym	Coumarin 481
IUPAC Name	7-(diethylamino)-4-(trifluoromethyl)chromen-2-one
InChI Key	UIMOXRDVWDLOHW-UHFFFAOYSA-N
Molecular Formula	C14H14F3NO2

113

4-Carboxymethyl-6,7-methylenedioxycoumarin 95.0+%, TCI America™

CAS: 97744-77-9 Molecular Formula: C12H8O6 Molecular Weight (g/mol): 248.19 MDL Number: MFCD00143278 InChI Key: PIHRLFGNZWHKIO-UHFFFAOYSA-N PubChem CID: 44630205 IUPAC Name: 2-{6-oxo-2H,6H-[1,3]dioxolo[4,5-g]chromen-8-yl}acetic acid SMILES: OC(=O)CC1=CC(=O)OC2=CC3=C(OCO3)C=C12

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Specifications

PubChem CID	44630205
CAS	97744-77-9
Molecular Weight (g/mol)	248.19
MDL Number	MFCD00143278
SMILES	OC(=O)CC1=CC(=O)OC2=CC3=C(OCO3)C=C12
IUPAC Name	2-{6-oxo-2H,6H-[1,3]dioxolo[4,5-g]chromen-8-yl}acetic acid
InChI Key	PIHRLFGNZWHKIO-UHFFFAOYSA-N
Molecular Formula	C12H8O6

114

Ethyl Coumarin-3-carboxylate 98.0+%, TCI America™

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

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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

115

7-(Diethylamino)-4-(hydroxymethyl)coumarin 98.0+%, TCI America™

CAS: 54711-38-5 Molecular Formula: C14H17NO3 Molecular Weight (g/mol): 247.294 MDL Number: MFCD03424352 InChI Key: NMZSXNOCNJMJQT-UHFFFAOYSA-N PubChem CID: 14532761 IUPAC Name: 7-(diethylamino)-4-(hydroxymethyl)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)CO

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Specifications

PubChem CID	14532761
CAS	54711-38-5
Molecular Weight (g/mol)	247.294
MDL Number	MFCD03424352
SMILES	CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)CO
IUPAC Name	7-(diethylamino)-4-(hydroxymethyl)chromen-2-one
InChI Key	NMZSXNOCNJMJQT-UHFFFAOYSA-N
Molecular Formula	C14H17NO3

116

7-Methylcoumarin 98.0+%, TCI America™

CAS: 2445-83-2 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00006880 InChI Key: DLHXRDUXNVEIEY-UHFFFAOYSA-N Synonym: 7-methylcoumarin,2h-1-benzopyran-2-one, 7-methyl,7-methyl-2h-chromen-2-one,coumarin, 7-methyl,7-methyl coumarin,7-methylcumarin,7-methyl-2h-1-benzopyran-2-one,unii-ycn83t03qu,7-methyl-coumarin,7-methyl-chromen-2-one PubChem CID: 17131 IUPAC Name: 7-methyl-2H-chromen-2-one SMILES: CC1=CC=C2C=CC(=O)OC2=C1

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PubChem CID	17131
CAS	2445-83-2
Molecular Weight (g/mol)	160.17
MDL Number	MFCD00006880
SMILES	CC1=CC=C2C=CC(=O)OC2=C1
Synonym	7-methylcoumarin,2h-1-benzopyran-2-one, 7-methyl,7-methyl-2h-chromen-2-one,coumarin, 7-methyl,7-methyl coumarin,7-methylcumarin,7-methyl-2h-1-benzopyran-2-one,unii-ycn83t03qu,7-methyl-coumarin,7-methyl-chromen-2-one
IUPAC Name	7-methyl-2H-chromen-2-one
InChI Key	DLHXRDUXNVEIEY-UHFFFAOYSA-N
Molecular Formula	C10H8O2

117

Coumarin 478 98.0+%, TCI America™

CAS: 41175-45-5 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD00041949 InChI Key: LLSRPENMALNOFW-UHFFFAOYSA-N Synonym: coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci PubChem CID: 100336 SMILES: C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23

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PubChem CID	100336
CAS	41175-45-5
Molecular Weight (g/mol)	281.355
MDL Number	MFCD00041949
SMILES	C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23
Synonym	coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci
InChI Key	LLSRPENMALNOFW-UHFFFAOYSA-N
Molecular Formula	C18H19NO2

118

7-Ethoxy-4-methylcoumarin 97.0+%, TCI America™

CAS: 87-05-8 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00016971 InChI Key: NKRISXMDKXBVRJ-UHFFFAOYSA-N Synonym: 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one PubChem CID: 66595 IUPAC Name: 7-ethoxy-4-methyl-2H-chromen-2-one SMILES: CCOC1=CC=C2C(C)=CC(=O)OC2=C1

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PubChem CID	66595
CAS	87-05-8
Molecular Weight (g/mol)	204.23
MDL Number	MFCD00016971
SMILES	CCOC1=CC=C2C(C)=CC(=O)OC2=C1
Synonym	7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one
IUPAC Name	7-ethoxy-4-methyl-2H-chromen-2-one
InChI Key	NKRISXMDKXBVRJ-UHFFFAOYSA-N
Molecular Formula	C12H12O3

119

7-Hydroxy-4-(trifluoromethyl)coumarin 98.0+%, TCI America™

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

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Specifications

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

120

7,8-Dihydroxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 2107-77-9 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016972 InChI Key: NWQBYMPNIJXFNQ-UHFFFAOYSA-N Synonym: 7,8-dihydroxy-4-methylcoumarin,4-methyldaphnetin,7,8-dihydroxy-4-methyl-2h-chromen-2-one,4-methyldaphnetine,4-methyl-7,8-dihydroxycoumarin,2h-1-benzopyran-2-one, 7,8-dihydroxy-4-methyl,coumarin, 7,8-dihydroxy-4-methyl,7,8-dihydroxy-4-methyl-2h-1-benzopyran-2-one,7,8-dihydroxy-4-methyl-chromen-2-one,7,8-dihydroxy-4-methyl-2-benzopyrone PubChem CID: 5355836 IUPAC Name: 7,8-dihydroxy-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=C(O)C(O)=CC=C12

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Specifications

PubChem CID	5355836
CAS	2107-77-9
Molecular Weight (g/mol)	192.17
MDL Number	MFCD00016972
SMILES	CC1=CC(=O)OC2=C(O)C(O)=CC=C12
Synonym	7,8-dihydroxy-4-methylcoumarin,4-methyldaphnetin,7,8-dihydroxy-4-methyl-2h-chromen-2-one,4-methyldaphnetine,4-methyl-7,8-dihydroxycoumarin,2h-1-benzopyran-2-one, 7,8-dihydroxy-4-methyl,coumarin, 7,8-dihydroxy-4-methyl,7,8-dihydroxy-4-methyl-2h-1-benzopyran-2-one,7,8-dihydroxy-4-methyl-chromen-2-one,7,8-dihydroxy-4-methyl-2-benzopyrone
IUPAC Name	7,8-dihydroxy-4-methyl-2H-chromen-2-one
InChI Key	NWQBYMPNIJXFNQ-UHFFFAOYSA-N
Molecular Formula	C10H8O4

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