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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76 – 90 of 579 results

7-(Ethylamino)-4-methylcoumarin 98.0+%, TCI America™

CAS: 28821-18-3 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00467040 InChI Key: OTNIKUTWXUODJZ-UHFFFAOYSA-N Synonym: Coumarin 445 PubChem CID: 120061 IUPAC Name: 7-(ethylamino)-4-methylchromen-2-one SMILES: CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C

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PubChem CID	120061
CAS	28821-18-3
Molecular Weight (g/mol)	203.241
MDL Number	MFCD00467040
SMILES	CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C
Synonym	Coumarin 445
IUPAC Name	7-(ethylamino)-4-methylchromen-2-one
InChI Key	OTNIKUTWXUODJZ-UHFFFAOYSA-N
Molecular Formula	C12H13NO2

6-Fluoro-4-hydroxycoumarin 98.0+%, TCI America™

CAS: 1994-13-4 Molecular Formula: C9H5FO3 Molecular Weight (g/mol): 180.13 MDL Number: MFCD03094006 InChI Key: JCOYNGQUPPGRNB-UHFFFAOYSA-N PubChem CID: 54691406 IUPAC Name: 6-fluoro-4-hydroxy-2H-chromen-2-one SMILES: OC1=CC(=O)OC2=CC=C(F)C=C12

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PubChem CID	54691406
CAS	1994-13-4
Molecular Weight (g/mol)	180.13
MDL Number	MFCD03094006
SMILES	OC1=CC(=O)OC2=CC=C(F)C=C12
IUPAC Name	6-fluoro-4-hydroxy-2H-chromen-2-one
InChI Key	JCOYNGQUPPGRNB-UHFFFAOYSA-N
Molecular Formula	C9H5FO3

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

Coumarin 498 98.0+%, TCI America™

CAS: 87331-48-4 Molecular Formula: C16H17NO4S Molecular Weight (g/mol): 319.38 MDL Number: MFCD00467041 InChI Key: DPJWIXMOCGJKDG-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-10-(methylsulfonyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 91972096 IUPAC Name: 5-methanesulfonyl-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-4-one SMILES: CS(=O)(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O

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PubChem CID	91972096
CAS	87331-48-4
Molecular Weight (g/mol)	319.38
MDL Number	MFCD00467041
SMILES	CS(=O)(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O
Synonym	2,3,6,7-Tetrahydro-10-(methylsulfonyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
IUPAC Name	5-methanesulfonyl-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-4-one
InChI Key	DPJWIXMOCGJKDG-UHFFFAOYSA-N
Molecular Formula	C16H17NO4S

Coumarin 521T 98.0+%, TCI America™

CAS: 114768-72-8 Molecular Formula: C21H25NO3 Molecular Weight (g/mol): 339.435 InChI Key: NGTDVJOJDMQAMI-UHFFFAOYSA-N Synonym: 10-Acetyl-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 14365279 SMILES: CC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C

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PubChem CID	14365279
CAS	114768-72-8
Molecular Weight (g/mol)	339.435
SMILES	CC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C
Synonym	10-Acetyl-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key	NGTDVJOJDMQAMI-UHFFFAOYSA-N
Molecular Formula	C21H25NO3

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

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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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

Coumarin 102 97.0+%, TCI America™

CAS: 41267-76-9 Molecular Formula: C16H17NO2 Molecular Weight (g/mol): 255.317 MDL Number: MFCD00041844 InChI Key: XHXMPURWMSJENN-UHFFFAOYSA-N Synonym: coumarin 102,coumarin 480,exciton 480,ccris 4960,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-methyl,2,3,5,6-1h,4h-tetrahydro-8-methylquinolazino-9,9a,1-gh coumarin,2,3,6,7-tetrahydro-9-methyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-methyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one PubChem CID: 94517 ChEBI: CHEBI:51774 SMILES: CC1=CC(=O)OC2=C3CCCN4C3=C(CCC4)C=C12

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PubChem CID	94517
CAS	41267-76-9
Molecular Weight (g/mol)	255.317
ChEBI	CHEBI:51774
MDL Number	MFCD00041844
SMILES	CC1=CC(=O)OC2=C3CCCN4C3=C(CCC4)C=C12
Synonym	coumarin 102,coumarin 480,exciton 480,ccris 4960,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-methyl,2,3,5,6-1h,4h-tetrahydro-8-methylquinolazino-9,9a,1-gh coumarin,2,3,6,7-tetrahydro-9-methyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-methyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one
InChI Key	XHXMPURWMSJENN-UHFFFAOYSA-N
Molecular Formula	C16H17NO2

3-Chlorocoumarin 98.0+%, TCI America™

CAS: 92-45-5 Molecular Formula: C9H5ClO2 Molecular Weight (g/mol): 180.59 MDL Number: MFCD00024073 InChI Key: CKCOPMSBJBNBCQ-UHFFFAOYSA-N Synonym: 3-chlorocoumarin,coumarin, 3-chloro,2h-1-benzopyran-2-one, 3-chloro,3-chloro-2h-chromen-2-one,chlorocoumarin,3-chloro-2h-1-benzopyran-2-one,acmc-1ciat,2h-1-benzopyran-2-one,3-chloro PubChem CID: 96133 IUPAC Name: 3-chloro-2H-chromen-2-one SMILES: ClC1=CC2=CC=CC=C2OC1=O

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PubChem CID	96133
CAS	92-45-5
Molecular Weight (g/mol)	180.59
MDL Number	MFCD00024073
SMILES	ClC1=CC2=CC=CC=C2OC1=O
Synonym	3-chlorocoumarin,coumarin, 3-chloro,2h-1-benzopyran-2-one, 3-chloro,3-chloro-2h-chromen-2-one,chlorocoumarin,3-chloro-2h-1-benzopyran-2-one,acmc-1ciat,2h-1-benzopyran-2-one,3-chloro
IUPAC Name	3-chloro-2H-chromen-2-one
InChI Key	CKCOPMSBJBNBCQ-UHFFFAOYSA-N
Molecular Formula	C9H5ClO2

Coumarin-3-carboxylic Acid 98.0+%, TCI America™

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

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PubChem CID	10752
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

4-Methylcoumarin 98.0+%, TCI America™

CAS: 607-71-6 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00185474 InChI Key: PSGQCCSGKGJLRL-UHFFFAOYSA-N PubChem CID: 11833 IUPAC Name: 4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC=CC=C12

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PubChem CID	11833
CAS	607-71-6
Molecular Weight (g/mol)	160.172
MDL Number	MFCD00185474
SMILES	CC1=CC(=O)OC2=CC=CC=C12
IUPAC Name	4-methylchromen-2-one
InChI Key	PSGQCCSGKGJLRL-UHFFFAOYSA-N
Molecular Formula	C10H8O2

4-Hydroxy-7-methoxycoumarin 98.0+%, TCI America™

CAS: 17575-15-4 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00673700 InChI Key: HFGKBQZAHZKDLV-UHFFFAOYSA-N Synonym: 4-hydroxy-7-methoxycoumarin,4-hydroxy-7-methoxy-2h-chromen-2-one,2-hydroxy-7-methoxy-4h-chromen-4-one,2-hydroxy-7-methoxychromen-4-one,4-hydroxy-7-methoxy-2h-1-benzopyran-2-one,4-hydroxy-7-met hoxycoumarin,4-hydroxy-7-methoxy-coumarin,4-hydroxy-7-methoxy-2-oxo-2h-chromene,2h-1-benzopyran-2-one,4-hydroxy-7-methoxy,2h-1-benzopyran-2-one, 4-hydroxy-7-methoxy PubChem CID: 54691408 IUPAC Name: 2-hydroxy-7-methoxy-4H-chromen-4-one SMILES: COC1=CC=C2C(=O)C=C(O)OC2=C1

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PubChem CID	54691408
CAS	17575-15-4
Molecular Weight (g/mol)	192.17
MDL Number	MFCD00673700
SMILES	COC1=CC=C2C(=O)C=C(O)OC2=C1
Synonym	4-hydroxy-7-methoxycoumarin,4-hydroxy-7-methoxy-2h-chromen-2-one,2-hydroxy-7-methoxy-4h-chromen-4-one,2-hydroxy-7-methoxychromen-4-one,4-hydroxy-7-methoxy-2h-1-benzopyran-2-one,4-hydroxy-7-met hoxycoumarin,4-hydroxy-7-methoxy-coumarin,4-hydroxy-7-methoxy-2-oxo-2h-chromene,2h-1-benzopyran-2-one,4-hydroxy-7-methoxy,2h-1-benzopyran-2-one, 4-hydroxy-7-methoxy
IUPAC Name	2-hydroxy-7-methoxy-4H-chromen-4-one
InChI Key	HFGKBQZAHZKDLV-UHFFFAOYSA-N
Molecular Formula	C10H8O4

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

CAS: 13252-83-0 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00085738 InChI Key: CSVFZDYJGBVNEX-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4 PubChem CID: 54686349 IUPAC Name: 2-hydroxy-6-methyl-4H-chromen-4-one SMILES: CC1=CC=C2OC(O)=CC(=O)C2=C1

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PubChem CID	54686349
CAS	13252-83-0
Molecular Weight (g/mol)	176.17
MDL Number	MFCD00085738
SMILES	CC1=CC=C2OC(O)=CC(=O)C2=C1
Synonym	4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4
IUPAC Name	2-hydroxy-6-methyl-4H-chromen-4-one
InChI Key	CSVFZDYJGBVNEX-UHFFFAOYSA-N
Molecular Formula	C10H8O3

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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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

7-Methoxycoumarin-3-carboxylic Acid 98.0+%, TCI America™

CAS: 20300-59-8 Molecular Formula: C11H8O5 Molecular Weight (g/mol): 220.18 MDL Number: MFCD00452770 InChI Key: VEEGNDSSWAOLFN-UHFFFAOYSA-N PubChem CID: 583941 IUPAC Name: 7-methoxy-2-oxo-2H-chromene-3-carboxylic acid SMILES: COC1=CC=C2C=C(C(O)=O)C(=O)OC2=C1

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PubChem CID	583941
CAS	20300-59-8
Molecular Weight (g/mol)	220.18
MDL Number	MFCD00452770
SMILES	COC1=CC=C2C=C(C(O)=O)C(=O)OC2=C1
IUPAC Name	7-methoxy-2-oxo-2H-chromene-3-carboxylic acid
InChI Key	VEEGNDSSWAOLFN-UHFFFAOYSA-N
Molecular Formula	C11H8O5

Coumarins and derivatives

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