nickel(2+) ion diformate

• ChemBase ID: 110762
• Molecular Formular: C2H2NiO4
• Molecular Mass: 148.72828
• Monoisotopic Mass: 147.93065144
• SMILES: [Ni+2].[O-]C=O.[O-]C=O
• Canonical SMILES: [O-]C=O.[O-]C=O.[Ni+2]
• InChI: InChI=1S/2CH2O2.Ni/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
• InChIKey: HZPNKQREYVVATQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion diformate
• IUPAC Traditional name: nickel(2+) bis(formira)
• Synonyms: NICKEL FORMATE (OUS)

Database IDs

• CAS Number: 3349-06-2
• PubChem SID: 162096164
• PubChem CID: 27506

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180°C

DETAILS

MP Biomedicals - 05216229

MP Biomedicals Rare Chemical collection