methyl (7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | 5436-1285 |
| Compound Name: | methyl (7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 262.26 |
| Molecular Formula: | C14 H14 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)O |
| Stereo: | ACHIRAL |
| logP: | 2.0893 |
| logD: | 2.0847 |
| logSw: | -2.7176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.971 |
| InChI Key: | VHNZFXKDCIJJSH-UHFFFAOYSA-N |