benzoic acid silver

• ChemBase ID: 111267
• Molecular Formular: C7H6AgO2
• Molecular Mass: 229.98954
• Monoisotopic Mass: 228.94187643
• SMILES: [Ag].OC(=O)c1ccccc1
• Canonical SMILES: OC(=O)c1ccccc1.[Ag]
• InChI: InChI=1S/C7H6O2.Ag/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9)
• InChIKey: GQCYXEOBZQXHPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzoic acid silver
• IUPAC Traditional name: benzoic acid silver
• Synonyms: SILVER BENZOATE

Database IDs

• CAS Number: 532-31-0
• EC Number: 208-533-2
• PubChem SID: 162097112
• PubChem CID: 6712949

CALCULATED PROPERTIES

• Acid pKa: 4.0752335
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19342963
• LogD (pH = 7.4): -1.4835135
• Log P: 1.6308287
• Molar Refractivity: 33.3142 cm^3
• Polarizability: 12.654471 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: R:22-58
• Safety Statements: S:36/37/39-61

DETAILS

MP Biomedicals - 05218425

MP Biomedicals Rare Chemical collection