2-(cyanomethyl)benzoic acid
Chemical Structure Depiction of
2-(cyanomethyl)benzoic acid
2-(cyanomethyl)benzoic acid
Compound characteristics
| Compound ID: | 8016-6983 |
| Compound Name: | 2-(cyanomethyl)benzoic acid |
| Molecular Weight: | 161.16 |
| Molecular Formula: | C9 H7 N O2 |
| Smiles: | C(C#N)c1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5191 |
| logD: | -1.848 |
| logSw: | -2.0025 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.138 |
| InChI Key: | AGXBHBJDSLZGAP-UHFFFAOYSA-N |