3-(3,4-dimethylbenzene-1-sulfonyl)propanoic acid
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)propanoic acid
3-(3,4-dimethylbenzene-1-sulfonyl)propanoic acid
Compound characteristics
| Compound ID: | R052-2787 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)propanoic acid |
| Molecular Weight: | 242.29 |
| Molecular Formula: | C11 H14 O4 S |
| Smiles: | Cc1ccc(cc1C)S(CCC(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4529 |
| logD: | -2.1396 |
| logSw: | -2.0572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.659 |
| InChI Key: | BQBZVJSVOQMDRC-UHFFFAOYSA-N |