2-(3,4-Dimethylbenzenesulfonyl)acetic acid
2-(3,4-dimethylphenyl)sulfonylacetic acid
Also Known As: 2-(3,4-dimethylbenzenesulfonyl)acetic acid|starbld0024225|2-(3,4-dimethylphenyl)sulfonylacetic Acid|2-(3,4-dimethylbenzenesulfonyl)aceticacid|2-((3,4-Dimethylphenyl)sulfonyl)acetic acid|SR-01000390462-1
CAS: 85654-12-2
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.04562 g/mol |
| LogP | 1.16174 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.04562 |
| Monoisotopic Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 488.1439 |
Chemical Identifiers
| CAS Number | 85654-12-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)CC(=O)O)C |
Product Overview
2-(3,4-Dimethylbenzenesulfonyl)acetic acid (CAS 85654-12-2), with molecular formula C10H12O4S and molecular weight 228.04562 g/mol. IUPAC: 2-(3,4-dimethylphenyl)sulfonylacetic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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