Coumarins and derivatives
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Filtered Search Results
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 |
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 |
Coumarin-3-carboxylic acid, 98%
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 |
|---|---|
| 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 |
Coumarin 334, 96%
CAS: 55804-67-6 Molecular Formula: C17H17NO3 Molecular Weight (g/mol): 283.33 MDL Number: MFCD00051336 InChI Key: JBPCDMSEJVCNGV-UHFFFAOYSA-N Synonym: coumarin 334,9-acetyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 10-acetyl-2,3,6,7-tetrahydro,10-acetyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano-2,3-f pyrido 3,2,1-ij quinolin-11-one,10-acetyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,coumarin-334,coumarin 521,coumarin 334, dye content 99 %,3-acetyl-6,7,9,10-tetrahydro-8h,11h-quinolizino 9,9a, 1-gh coumarin PubChem CID: 72655 IUPAC Name: 5-acetyl-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-4-one SMILES: CC(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O
| PubChem CID | 72655 |
|---|---|
| CAS | 55804-67-6 |
| Molecular Weight (g/mol) | 283.33 |
| MDL Number | MFCD00051336 |
| SMILES | CC(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O |
| Synonym | coumarin 334,9-acetyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 10-acetyl-2,3,6,7-tetrahydro,10-acetyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano-2,3-f pyrido 3,2,1-ij quinolin-11-one,10-acetyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,coumarin-334,coumarin 521,coumarin 334, dye content 99 %,3-acetyl-6,7,9,10-tetrahydro-8h,11h-quinolizino 9,9a, 1-gh coumarin |
| IUPAC Name | 5-acetyl-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-4-one |
| InChI Key | JBPCDMSEJVCNGV-UHFFFAOYSA-N |
| Molecular Formula | C17H17NO3 |
7-Hydroxycoumarinyl-4-acetic acid, 97%
CAS: 6950-82-9 Molecular Formula: C11H8O5 Molecular Weight (g/mol): 220.18 MDL Number: MFCD00037563 InChI Key: BNHPMQBVNXMPDU-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid PubChem CID: 5338490 IUPAC Name: 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O
| PubChem CID | 5338490 |
|---|---|
| CAS | 6950-82-9 |
| Molecular Weight (g/mol) | 220.18 |
| MDL Number | MFCD00037563 |
| SMILES | C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O |
| Synonym | 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid |
| IUPAC Name | 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid |
| InChI Key | BNHPMQBVNXMPDU-UHFFFAOYSA-N |
| Molecular Formula | C11H8O5 |
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 |
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 |
7-Methoxycoumarin-4-acetic acid
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 |
|---|---|
| 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 |
7-Amino-4-methylcoumarin-3-acetic Acid 95.0+%, TCI America™
CAS: 106562-32-7 Molecular Formula: C12H11NO4 Molecular Weight (g/mol): 233.22 MDL Number: MFCD00081051 InChI Key: QEQDLKUMPUDNPG-UHFFFAOYSA-N Synonym: AMCA PubChem CID: 129367 IUPAC Name: 2-(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid SMILES: CC1=C(CC(O)=O)C(=O)OC2=CC(N)=CC=C12
| PubChem CID | 129367 |
|---|---|
| CAS | 106562-32-7 |
| Molecular Weight (g/mol) | 233.22 |
| MDL Number | MFCD00081051 |
| SMILES | CC1=C(CC(O)=O)C(=O)OC2=CC(N)=CC=C12 |
| Synonym | AMCA |
| IUPAC Name | 2-(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid |
| InChI Key | QEQDLKUMPUDNPG-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO4 |
Coumarin 343, TCI America™
CAS: 55804-65-4 Molecular Formula: C16H15NO4 Molecular Weight (g/mol): 285.299 MDL Number: MFCD00051335 InChI Key: KCDCNGXPPGQERR-UHFFFAOYSA-N Synonym: coumarin 343,11-oxo-2,3,5,6,7,11-hexahydro-1h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carboxylic acid,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carboxylicacid, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carboxylic acid,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo,coumarin343,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carboxylic acid,coumarin-343 PubChem CID: 108770 ChEBI: CHEBI:51941 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)O)CCCN3C1
| PubChem CID | 108770 |
|---|---|
| CAS | 55804-65-4 |
| Molecular Weight (g/mol) | 285.299 |
| ChEBI | CHEBI:51941 |
| MDL Number | MFCD00051335 |
| SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)O)CCCN3C1 |
| Synonym | coumarin 343,11-oxo-2,3,5,6,7,11-hexahydro-1h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carboxylic acid,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carboxylicacid, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carboxylic acid,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo,coumarin343,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carboxylic acid,coumarin-343 |
| InChI Key | KCDCNGXPPGQERR-UHFFFAOYSA-N |
| Molecular Formula | C16H15NO4 |
7-(Diethylamino)coumarin 98.0+%, TCI America™
CAS: 20571-42-0 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.27 MDL Number: MFCD00232946 InChI Key: QXAMGWKESXGGNV-UHFFFAOYSA-N PubChem CID: 88598 IUPAC Name: 7-(diethylamino)-2H-chromen-2-one SMILES: CCN(CC)C1=CC=C2C=CC(=O)OC2=C1
| PubChem CID | 88598 |
|---|---|
| CAS | 20571-42-0 |
| Molecular Weight (g/mol) | 217.27 |
| MDL Number | MFCD00232946 |
| SMILES | CCN(CC)C1=CC=C2C=CC(=O)OC2=C1 |
| IUPAC Name | 7-(diethylamino)-2H-chromen-2-one |
| InChI Key | QXAMGWKESXGGNV-UHFFFAOYSA-N |
| Molecular Formula | C13H15NO2 |
7-(Dimethylamino)-4-(trifluoromethyl)coumarin 97.0+%, TCI America™
CAS: 53518-14-2 Molecular Formula: C12H10F3NO2 Molecular Weight (g/mol): 257.21 MDL Number: MFCD00041867 InChI Key: KDTAEYOYAZPLIC-UHFFFAOYSA-N Synonym: coumarin 152,7-dimethylamino-4-trifluoromethyl coumarin,2h-1-benzopyran-2-one, 7-dimethylamino-4-trifluoromethyl,7-dimethylamino-4-trifluoromethylcoumarin,7-dimethylamino-4-trifluoromethyl chromen-2-one,7-dimethylamino-4-trifluoromethyl-2h-chromen-2-one,coumarin-152,acmc-209l8g,7-nme2-4-cf3-coumarin,7-dimethylamino-4-trifluoromethyl-2-benzopyrone PubChem CID: 104522 ChEBI: CHEBI:51775 IUPAC Name: 7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one SMILES: CN(C)C1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1
| PubChem CID | 104522 |
|---|---|
| CAS | 53518-14-2 |
| Molecular Weight (g/mol) | 257.21 |
| ChEBI | CHEBI:51775 |
| MDL Number | MFCD00041867 |
| SMILES | CN(C)C1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1 |
| Synonym | coumarin 152,7-dimethylamino-4-trifluoromethyl coumarin,2h-1-benzopyran-2-one, 7-dimethylamino-4-trifluoromethyl,7-dimethylamino-4-trifluoromethylcoumarin,7-dimethylamino-4-trifluoromethyl chromen-2-one,7-dimethylamino-4-trifluoromethyl-2h-chromen-2-one,coumarin-152,acmc-209l8g,7-nme2-4-cf3-coumarin,7-dimethylamino-4-trifluoromethyl-2-benzopyrone |
| IUPAC Name | 7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one |
| InChI Key | KDTAEYOYAZPLIC-UHFFFAOYSA-N |
| Molecular Formula | C12H10F3NO2 |
Coumarin 6H 97.0+%, TCI America™
CAS: 58336-35-9 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 MDL Number: MFCD00227485 InChI Key: MZSOXGPKUOAXNY-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin PubChem CID: 94022 SMILES: C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1
| PubChem CID | 94022 |
|---|---|
| CAS | 58336-35-9 |
| Molecular Weight (g/mol) | 241.29 |
| MDL Number | MFCD00227485 |
| SMILES | C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1 |
| Synonym | 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin |
| InChI Key | MZSOXGPKUOAXNY-UHFFFAOYSA-N |
| Molecular Formula | C15H15NO2 |
Esculin hydrate, 97%
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 |
|---|---|
| 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 |
Scopoletin, 95%
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 |
|---|---|
| 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 |