3-(4-methyl-2-oxo-7-propoxy-2H-1-benzopyran-3-yl)propanoic acid
Chemical Structure Depiction of
3-(4-methyl-2-oxo-7-propoxy-2H-1-benzopyran-3-yl)propanoic acid
3-(4-methyl-2-oxo-7-propoxy-2H-1-benzopyran-3-yl)propanoic acid
Compound characteristics
| Compound ID: | D715-1102 |
| Compound Name: | 3-(4-methyl-2-oxo-7-propoxy-2H-1-benzopyran-3-yl)propanoic acid |
| Molecular Weight: | 290.31 |
| Molecular Formula: | C16 H18 O5 |
| Smiles: | CCCOc1ccc2C(C)=C(CCC(O)=O)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9082 |
| logD: | 0.412 |
| logSw: | -3.1551 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.962 |
| InChI Key: | VWQCGYKQUFBDTK-UHFFFAOYSA-N |