| Sonrisas canónicas | COC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C |
|---|---|
| IUPAC Name | methyl 2-(4-methoxy-N-methylsulfonylanilino)acetate |
| InChIKey | JUZLAFVLDPHHMC-UHFFFAOYSA-N |
| INCHI | 1S/C11H15NO5S/c1-16-10-6-4-9(5-7-10)12(18(3,14)15)8-11(13)17-2/h4-7H,8H2,1-3H3 |
| Isómeros SMILES | COC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C |
| CAS alternativo | 6198-78-3 |
| PubChem CID | 846828 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Sulfanilides Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Methyl esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Sulfanilide - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Methyl ester - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 273.310 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 273.067 Da |
| Monoisotopic Mass | 273.067 Da |
| Topological Polar Surface Area | 81.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 367.000 |
| 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 |
