cobalt(2+) ion dibenzoate

• ChemBase ID: 109457
• Molecular Formular: C14H10CoO4
• Molecular Mass: 301.16
• Monoisotopic Mass: 300.9911038
• SMILES: [Co+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1
• Canonical SMILES: [O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.[Co+2]
• InChI: InChI=1S/2C7H6O2.Co/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
• InChIKey: GAYAMOAYBXKUII-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion dibenzoate; λ^2-cobalt(2+) ion dibenzoate
• IUPAC Traditional name: cobalt(2+) dibenzoate; λ^2-cobalt(2+) ion dibenzoate
• Synonyms: COBALTOUS BENZOATE; Cobalt(II) benzoate; 苯甲酸钴(II)

Database IDs

• CAS Number: 932-69-4
• EC Number: 213-257-0
• MDL Number: MFCD00050769
• PubChem SID: 162095321
• PubChem CID: 164760

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: Crystalline
• Melting Point: 114-116°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 43
• Safety Statements: 24-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P363-P501A