3-{4-methyl-2-oxo-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4-methyl-2-oxo-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-1-benzopyran-3-yl}propanoic acid
3-{4-methyl-2-oxo-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y040-7010 |
| Compound Name: | 3-{4-methyl-2-oxo-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C23 H24 O8 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc12)OCc1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0459 |
| logD: | 0.5496 |
| logSw: | -3.4438 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.749 |
| InChI Key: | WRXLVCQVQLQDFF-UHFFFAOYSA-N |