≥80%, mixture of isomers 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 | 504758651 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758651 |
| Canonical Smiles | C1=CC=C(C=C1)C(C(=O)O)S(=O)(=O)O |
| IUPAC Name | 2-phenyl-2-sulfoacetic acid |
| InChIKey | USNMCXDGQQVYSW-UHFFFAOYSA-N |
| INCHI | 1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13) |
| Isomeric SMILES | C1=CC=C(C=C1)C(C(=O)O)S(=O)(=O)O |
| Molecular Weight | 216.2 |
| Reaxy-Rn | 2112847 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2112847&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Sulfonyls Organosulfonic acids Alkanesulfonic acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | monocarboxylic acid - organosulfonic acid |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2324114 | Certificate of Analysis | Nov 06, 2023 | A184434 |
| K2324115 | Certificate of Analysis | Nov 06, 2023 | A184434 |
| K2324116 | Certificate of Analysis | Nov 06, 2023 | A184434 |
| K2324117 | Certificate of Analysis | Nov 06, 2023 | A184434 |
| K2324118 | Certificate of Analysis | Nov 06, 2023 | A184434 |
| K2324119 | Certificate of Analysis | Nov 06, 2023 | A184434 |
| K2324120 | Certificate of Analysis | Nov 06, 2023 | A184434 |
| K2324121 | Certificate of Analysis | Nov 06, 2023 | A184434 |
| Molecular Weight | 216.210 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.009 Da |
| Monoisotopic Mass | 216.009 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 296.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
