methyl (5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y040-0218 |
| Compound Name: | methyl (5-hydroxy-4,7-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)Oc2cc(C)cc(c12)O |
| Stereo: | ACHIRAL |
| logP: | 2.4467 |
| logD: | 2.3865 |
| logSw: | -2.1015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.287 |
| InChI Key: | LTALDERGPAZTDC-UHFFFAOYSA-N |