≥96% 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.
| Pubchem Sid | 504759474 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759474 |
| Canonical Smiles | COC1=CC=CC(=C1N)C(=O)OC |
| IUPAC Name | methyl 2-amino-3-methoxybenzoate |
| InChIKey | YJEZEMGLLFLMDF-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,10H2,1-2H3 |
| Isomeric SMILES | COC1=CC=CC(=C1N)C(=O)OC |
| Molecular Weight | 181.19 |
| Reaxy-Rn | 2092195 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092195&ln= |
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 | M-methoxybenzoic acids and derivatives |
| Alternative Parents | Aminobenzoic acids and derivatives Benzoic acid esters Aminophenyl ethers Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Vinylogous amides Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Primary amines Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-methoxybenzoic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Methyl ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Primary amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
| Boil Point(°C) | 117°C/2mmHg |
|---|---|
| Melt Point(°C) | 46.0-50.0℃ |
| Molecular Weight | 181.190 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 181.074 Da |
| Monoisotopic Mass | 181.074 Da |
| Topological Polar Surface Area | 61.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
F2420034