phenyl 2-cyanoethane-1-sulfonate
Chemical Structure Depiction of
phenyl 2-cyanoethane-1-sulfonate
phenyl 2-cyanoethane-1-sulfonate
Compound characteristics
| Compound ID: | 1313-0342 |
| Compound Name: | phenyl 2-cyanoethane-1-sulfonate |
| Molecular Weight: | 211.24 |
| Molecular Formula: | C9 H9 N O3 S |
| Smiles: | C(CS(=O)(=O)Oc1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 0.6991 |
| logD: | 0.6991 |
| logSw: | -1.8204 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.839 |
| InChI Key: | RBDGXLKEHFXJOF-UHFFFAOYSA-N |