Scopoletin
7-hydroxy-6-methoxychromen-2-one
Also Known As: scopoletin|Gelseminic acid|Scopoletine|Murrayetin|Scopoletol|Chrysatropic acid|6-Methylesculetin|Escopoletin|7-Hydroxy-6-methoxy-2H-chromen-2-one|6-O-Methylesculetin|7-Hydroxy-6-methoxycoumarin|Methylesculetin|6-Methoxyumbelliferone|beta-Methylesculetin|Buxuletin|6-Methoxy-7-hydroxycoumarin|Baogongteng B|Chrysotropic Acid|Acid, Gelseminic|Esculetin 6-methyl ether|Acid, Chrysotropic|Scoploetin|Escopoletin;|Scopoletin?|Scopoletol;|.beta.-Methylesculetin|Esculetin-6-methyl ether|7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one|b-Methylaesculetin|2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-|7-hydroxy-6-methoxychromen-2-one|Chrysatropic acid;||A-Methylaesculetin|beta -methylesculetin|COPOLETIN|7-O-Demethylscoparone|Scopoletin (Standard)|7-Hydroxy-5-methoxycoumarin|Scopoletin, >=99%|7-hydroxy-6-methoxy-coumarin|SCOPOLETIN [MI]|Prestwick0_000962|Prestwick1_000962|Prestwick2_000962|Prestwick3_000962|Spectrum2_001207
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04225 g/mol |
| LogP | 1.5072 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04225 |
| Monoisotopic Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 527.1233 |
Chemical Identifiers
| CAS Number | 92-61-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
Product Overview
Scopoletin (CAS 92-61-5), with molecular formula C10H8O4 and molecular weight 192.04225 g/mol. IUPAC: 7-hydroxy-6-methoxychromen-2-one.