| Sonrisas canónicas | CC1=CC(=CC(=C1O)C(=O)O)N |
|---|---|
| IUPAC Name | 5-amino-2-hydroxy-3-methylbenzoic acid |
| InChIKey | PYZAJVNHGMYHFW-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO3/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,10H,9H2,1H3,(H,11,12) |
| Isómeros SMILES | CC1=CC(=CC(=C1O)C(=O)O)N |
| PubChem CID | 1086035 |
| Peso molecular | 167.17 |
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 | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzoic acids |
| Alternative Parents | Salicylic acids Benzoic acids p-Aminophenols Ortho cresols Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Vinylogous acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzoic acid - P-aminophenol - Aminophenol - Benzoyl - O-cresol - Aminotoluene - Aniline or substituted anilines - Phenol - Toluene - Vinylogous acid - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary amine - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. |
| External Descriptors | Not available |
| Peso molecular | 167.160 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 167.058 Da |
| Monoisotopic Mass | 167.058 Da |
| Topological Polar Surface Area | 83.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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 |
