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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.
| Sonrisas canónicas | COC1=C(C=C(C(=C1)C(=O)O)N)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 2-amino-5-methoxy-4-phenylmethoxybenzoic acid |
| InChIKey | CYJFMVXMHCGPSW-UHFFFAOYSA-N |
| INCHI | 1S/C15H15NO4/c1-19-13-7-11(15(17)18)12(16)8-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9,16H2,1H3,(H,17,18) |
| Isómeros SMILES | COC1=C(C=C(C(=C1)C(=O)O)N)OCC2=CC=CC=C2 |
| PubChem CID | 10967675 |
| Peso molecular | 273.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | 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 Methoxyanilines Benzoic acids Aminophenyl ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Vinylogous amides Amino acids Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-methoxybenzoic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Aminophenyl ether - Methoxyaniline - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Vinylogous amide - Amino acid or derivatives - Amino acid - Ether - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Descripción | 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 |
| Sensibilidad | light and moisture sensitive |
|---|---|
| Peso molecular | 273.280 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 273.1 Da |
| Monoisotopic Mass | 273.1 Da |
| Topological Polar Surface Area | 81.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 317.000 |
| 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 |