copper(2+) ion dibenzoate

• ChemBase ID: 126689
• Molecular Formular: C14H10CuO4
• Molecular Mass: 305.7728
• Monoisotopic Mass: 304.9875063
• SMILES: [Cu+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1
• Canonical SMILES: [O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.[Cu+2]
• InChI: InChI=1S/2C7H6O2.Cu/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
• InChIKey: YEOCHZFPBYUXMC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion dibenzoate
• IUPAC Traditional name: copper(2+) ion dibenzoate
• Synonyms: cupric benzoate; Copper benzoate

Database IDs

• CAS Number: 533-01-7
• PubChem SID: 162221019
• PubChem CID: 164650
• Chemspider ID: 144339
• Wikipedia Title: Copper_benzoate

CALCULATED PROPERTIES

• Acid pKa: 4.0752335
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19342963
• LogD (pH = 7.4): -1.4835135
• Log P: 1.6308287
• Molar Refractivity: 44.1513 cm^3
• Polarizability: 12.569108 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: blue solid
• Boiling Point: 249.3°C @760mmHg
• Flash Point: 111.4°C
• Density: 1.197g/cm^3

Safety Information

• Safety Statements: R