3-[7-(carboxymethoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]propanoic acid
Chemical Structure Depiction of
3-[7-(carboxymethoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]propanoic acid
3-[7-(carboxymethoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]propanoic acid
Compound characteristics
| Compound ID: | Y040-3898 |
| Compound Name: | 3-[7-(carboxymethoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]propanoic acid |
| Molecular Weight: | 320.3 |
| Molecular Formula: | C16 H16 O7 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8137 |
| logD: | -2.4233 |
| logSw: | -2.4369 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.198 |
| InChI Key: | YJVBAUUYESIXRR-UHFFFAOYSA-N |