≥90% 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.
| Canonical Smiles | C1CS(=O)(=O)CCN1C(CC(=O)O)C2=CC3=C(C=C2)OCO3 |
|---|---|
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid |
| InChIKey | RSWYOCZOZSPZQC-UHFFFAOYSA-N |
| INCHI | 1S/C14H17NO6S/c16-14(17)8-11(15-3-5-22(18,19)6-4-15)10-1-2-12-13(7-10)21-9-20-12/h1-2,7,11H,3-6,8-9H2,(H,16,17) |
| Isomeric SMILES | C1CS(=O)(=O)CCN1C(CC(=O)O)C2=CC3=C(C=C2)OCO3 |
| PubChem CID | 2766027 |
| Molecular Weight | 327.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Aralkylamines Thiomorpholines Benzenoids Sulfones Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Aralkylamine - 1,4-thiazinane - Benzenoid - Sulfone - Amino acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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 |
| Molecular Weight | 327.350 g/mol |
|---|---|
| XLogP3 | -2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 327.078 Da |
| Monoisotopic Mass | 327.078 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| 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 |
