ammonium 2-hydroxybenzoate

• ChemBase ID: 108107
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: [NH4+].Oc1ccccc1C(=O)[O-]
• Canonical SMILES: [O-]C(=O)c1ccccc1O.[NH4+]
• InChI: InChI=1S/C7H6O3.H3N/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3
• InChIKey: BOFZOTMTKBQRAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium 2-hydroxybenzoate
• IUPAC Traditional name: ammonium o-hydroxybenzoate
• Synonyms: AMMONIUM SALICYLATE

Database IDs

• CAS Number: 528-94-9
• EC Number: 208-444-9
• PubChem SID: 162095079
• PubChem CID: 54697583

CALCULATED PROPERTIES

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 46.1322 cm^3
• Polarizability: 13.208861 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: VO4900000

DETAILS

MP Biomedicals - 05206100

MP Biomedicals Rare Chemical collection