≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)OC)N |
|---|---|
| IUPAC Name | methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate |
| InChIKey | BBWJVKZAKHIKRQ-UHFFFAOYSA-N |
| INCHI | 1S/C11H15NO5S/c1-4-18(14,15)10-5-7(11(13)17-3)9(16-2)6-8(10)12/h5-6H,4,12H2,1-3H3 |
| Isomeric SMILES | CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)OC)N |
| PubChem CID | 12906443 |
| Molecular Weight | 273.31 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | O-methoxybenzoic acids and derivatives |
| Alternative Parents | Aminobenzoic acids and derivatives Benzoic acid esters Methoxyanilines Benzenesulfonyl compounds Aminophenyl ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Sulfones Methyl esters Amino acids and derivatives Hydrocarbon derivatives Organic oxides Primary amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-methoxybenzoic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Sulfone - Methyl ester - Sulfonyl - Amino acid or derivatives - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Amine - Organosulfur compound - Organic nitrogen compound - Primary amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group. |
| 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 |
|---|---|---|---|
 H2501464 | Certificate of Analysis | Mar 18, 2025 | M727185 |
| H2501535 | Certificate of Analysis | Mar 18, 2025 | M727185 |
| H2501536 | Certificate of Analysis | Mar 18, 2025 | M727185 |
| H2501537 | Certificate of Analysis | Mar 18, 2025 | M727185 |
| Molecular Weight | 273.310 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 273.067 Da |
| Monoisotopic Mass | 273.067 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 389.000 |
| 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 |
