3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
Chemical Structure Depiction of
3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y040-0227 |
| Compound Name: | 3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid |
| Molecular Weight: | 262.26 |
| Molecular Formula: | C14 H14 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc12)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9304 |
| logD: | -0.5659 |
| logSw: | -2.5601 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.088 |
| InChI Key: | RIWPTYLEWDIAJI-UHFFFAOYSA-N |