≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Canonical Smiles | C1OC2=C(O1)C=C(C=C2)NC(=O)CS(=O)CC(=O)O |
|---|---|
| IUPAC Name | 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid |
| InChIKey | ABHAISRFDMHVAA-UHFFFAOYSA-N |
| INCHI | 1S/C11H11NO6S/c13-10(4-19(16)5-11(14)15)12-7-1-2-8-9(3-7)18-6-17-8/h1-3H,4-6H2,(H,12,13)(H,14,15) |
| Isomeric SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CS(=O)CC(=O)O |
| PubChem CID | 861495 |
| Molecular Weight | 285.27 |
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 | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | N-arylamides Benzenoids Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - N-arylamide - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfinyl compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| 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 |
|---|---|---|---|
 G2411244 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411245 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411246 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411247 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411248 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411249 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411286 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411287 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411288 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| G2411289 | Certificate of Analysis | Mar 30, 2024 | A412931 |
| Molecular Weight | 285.280 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 285.031 Da |
| Monoisotopic Mass | 285.031 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 387.000 |
| 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 |
