(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetic acid
Chemical Structure Depiction of
(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetic acid
(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetic acid
Compound characteristics
| Compound ID: | Y040-6773 |
| Compound Name: | (5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetic acid |
| Molecular Weight: | 248.23 |
| Molecular Formula: | C13 H12 O5 |
| Smiles: | CC1=C(CC(O)=O)C(=O)Oc2cc(C)cc(c12)O |
| Stereo: | ACHIRAL |
| logP: | 2.0302 |
| logD: | -1.4285 |
| logSw: | -1.9428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.092 |
| InChI Key: | RHUMIIZFEHDIKT-UHFFFAOYSA-N |