(4-Tolylsulphonyl)acetic acid
2-(4-methylphenyl)sulfonylacetic acid
CAS: 3937-96-0
| Molecular Formula | C9H10O4S |
|---|---|
| Molecular Weight | 214.24 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 79.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.02998 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 3937-96-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O |
| InChIKey | AQDHXMBUTDLAMD-UHFFFAOYSA-N |
📖 Product Overview
(4-Tolylsulphonyl)acetic acid (CAS: 3937-96-0) is a chemical compound with molecular formula C9H10O4S and molecular weight 214.24 g/mol. Its IUPAC systematic name is 2-(4-methylphenyl)sulfonylacetic acid.
AQDHXMBUTDLAMD-UHFFFAOYSA-N.
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O.
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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