methyl 2-amino-6-hydroxybenzoate

• ChemBase ID: 289430
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: COC(=O)c1c(N)cccc1O
• Canonical SMILES: COC(=O)c1c(N)cccc1O
• InChI: InChI=1S/C8H9NO3/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,10H,9H2,1H3
• InChIKey: BZDGFJYGNNWRKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-6-hydroxybenzoate
• IUPAC Traditional name: methyl 2-amino-6-hydroxybenzoate
• Synonyms: Methyl 2-amino-6-hydroxybenzoate

Database IDs

• CAS Number: 64241-01-6
• PubChem SID: 180674961
• PubChem CID: 21514499

CALCULATED PROPERTIES

• Acid pKa: 10.025005
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1441226
• LogD (pH = 7.4): 2.1432092
• Log P: 2.1442316
• Molar Refractivity: 44.7646 cm^3
• Polarizability: 16.532217 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%