2-(3-methylbutane-1-sulfonyl)benzoic acid
Chemical Structure Depiction of
2-(3-methylbutane-1-sulfonyl)benzoic acid
2-(3-methylbutane-1-sulfonyl)benzoic acid
Compound characteristics
| Compound ID: | Y030-1744 |
| Compound Name: | 2-(3-methylbutane-1-sulfonyl)benzoic acid |
| Molecular Weight: | 256.32 |
| Molecular Formula: | C12 H16 O4 S |
| Smiles: | CC(C)CCS(c1ccccc1C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6205 |
| logD: | -1.4589 |
| logSw: | -2.8455 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.683 |
| InChI Key: | NYWXQJKLQDTPLG-UHFFFAOYSA-N |