2-amino-6-hydroxybenzoic acid

• ChemBase ID: 289414
• Molecular Formular: C7H7NO3
• Molecular Mass: 153.13538
• Monoisotopic Mass: 153.04259309
• SMILES: O=C(O)c1c(O)cccc1N
• Canonical SMILES: OC(=O)c1c(N)cccc1O
• InChI: InChI=1S/C7H7NO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9H,8H2,(H,10,11)
• InChIKey: UZSDRHVOBLQYCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-hydroxybenzoic acid
• IUPAC Traditional name: 2-amino-6-hydroxybenzoic acid
• Synonyms: 2-Amino-6-hydroxybenzoic acid

Database IDs

• CAS Number: 567-62-4
• PubChem SID: 180674945
• PubChem CID: 13409833

CALCULATED PROPERTIES

• Acid pKa: 1.0917729
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.18324624
• LogD (pH = 7.4): -1.5688328
• Log P: 1.0980701
• Molar Refractivity: 39.9955 cm^3
• Polarizability: 14.465752 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%