3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropanoic acid
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropanoic acid
3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropanoic acid
Compound characteristics
| Compound ID: | 5555-0333 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropanoic acid |
| Molecular Weight: | 270.28 |
| Molecular Formula: | C16 H14 O4 |
| Smiles: | C(C(c1ccccc1)c1ccc2c(c1)OCO2)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.848 |
| logD: | 0.105 |
| logSw: | -3.1001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.466 |
| InChI Key: | CNLLGXYTUMEWOA-ZDUSSCGKSA-N |