methyl 2-amino-3-hydroxybenzoate

• ChemBase ID: 288791
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: O=C(OC)c1cccc(O)c1N
• Canonical SMILES: COC(=O)c1cccc(c1N)O
• InChI: InChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4,10H,9H2,1H3
• InChIKey: GDIJXOCHGFQHCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-3-hydroxybenzoate
• IUPAC Traditional name: methyl 2-amino-3-hydroxybenzoate
• Synonyms: Methyl 2-amino-3-hydroxybenzoate

Database IDs

• CAS Number: 17672-21-8
• PubChem SID: 180674322
• PubChem CID: 205248

CALCULATED PROPERTIES

• Acid pKa: 10.049673
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4939162
• LogD (pH = 7.4): 1.4932606
• Log P: 1.4942315
• Molar Refractivity: 44.7646 cm^3
• Polarizability: 16.531054 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%