≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 | CCOC(=O)C1(CC1C=C)N.CC1=CC=C(C=C1)S(=O)(=O)O |
|---|---|
| IUPAC Name | ethyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;4-methylbenzenesulfonic acid |
| InChIKey | ZVRWDUOPDWVUNQ-CIRBGYJCSA-N |
| INCHI | 1S/C8H13NO2.C7H8O3S/c1-3-6-5-8(6,9)7(10)11-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,6H,1,4-5,9H2,2H3;2-5H,1H3,(H,8,9,10)/t6-,8-;/m1./s1 |
| Isomeric SMILES | CCOC(=O)[C@]1(C[C@H]1C=C)N.CC1=CC=C(C=C1)S(=O)(=O)O |
| PubChem CID | 46737761 |
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 | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Methylbenzenesulfonates |
| Alternative Parents | Tosyl compounds Alpha amino acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds 1-aminocyclopropane-1-carboxylic acids and derivatives Sulfonyls Organosulfonic acids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | P-methylbenzenesulfonate - Alpha-amino acid or derivatives - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-aminocyclopropane-1-carboxylic acid or derivatives - Toluene - Cyclopropanecarboxylic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary aliphatic amine - Organosulfur compound - Primary amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. |
| External Descriptors | Not available |
| Molecular Weight | 327.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 327.114 Da |
| Monoisotopic Mass | 327.114 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 397.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 2 |
