≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488190372 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190372 |
| Canonical Smiles | CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O |
| IUPAC Name | 2-(4-methylsulfonylphenyl)acetic acid |
| InChIKey | HGGWOSYNRVOQJH-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| Isomeric SMILES | CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 214.24 |
| Beilstein | 10(3)444 |
| Reaxy-Rn | 2646649 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2646649&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Sulfonyl - Sulfone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D1823068 | Certificate of Analysis | Nov 10, 2025 | M106769 |
| D1823069 | Certificate of Analysis | Nov 10, 2025 | M106769 |
| I1523054 | Certificate of Analysis | Jun 05, 2023 | M106769 |
| B2310494 | Certificate of Analysis | Sep 29, 2022 | M106769 |
| B2310495 | Certificate of Analysis | Sep 29, 2022 | M106769 |
| B2310496 | Certificate of Analysis | Sep 29, 2022 | M106769 |
| B2310497 | Certificate of Analysis | Sep 29, 2022 | M106769 |
| B2310566 | Certificate of Analysis | Sep 29, 2022 | M106769 |
| B2311142 | Certificate of Analysis | Sep 29, 2022 | M106769 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 136-140°C |
| Molecular Weight | 214.240 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 214.03 Da |
| Monoisotopic Mass | 214.03 Da |
| Topological Polar Surface Area | 79.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
