≥97% 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 | COC(=O)C1=CC(=C(C=C1O)O)N |
|---|---|
| IUPAC Name | methyl 5-amino-2,4-dihydroxybenzoate |
| InChIKey | OZKJEDPAZXWTSM-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO4/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3,10-11H,9H2,1H3 |
| Isomeric SMILES | COC(=O)C1=CC(=C(C=C1O)O)N |
| PubChem CID | 99966220 |
| Molecular Weight | 183.16 |
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 | Benzoic acid esters - p-Hydroxybenzoic acid esters |
| Direct Parent | p-Hydroxybenzoic acid alkyl esters |
| Alternative Parents | o-Hydroxybenzoic acid esters Salicylic acid and derivatives Aminobenzoic acids and derivatives p-Aminophenols o-Aminophenols Resorcinols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Amino acids and derivatives Organic oxides Organooxygen compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Dihydroxybenzoic acid - P-hydroxybenzoic acid alkyl ester - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Aminobenzoic acid or derivatives - Resorcinol - P-aminophenol - Aniline or substituted anilines - Benzoyl - Aminophenol - O-aminophenol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 183.160 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 183.053 Da |
| Monoisotopic Mass | 183.053 Da |
| Topological Polar Surface Area | 92.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
