nickel(2+) ion bis(2-hydroxyacetate)

• ChemBase ID: 303384
• Molecular Formular: C4H6NiO6
• Molecular Mass: 208.78024
• Monoisotopic Mass: 207.95178081
• SMILES: C(C(=O)[O-])O.C(C(=O)[O-])O.[Ni+2]
• Canonical SMILES: OCC(=O)[O-].OCC(=O)[O-].[Ni+2]
• InChI: InChI=1S/2C2H4O3.Ni/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q;;+2/p-2
• InChIKey: OZHLXQFAHIYYDJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(2-hydroxyacetate)
• IUPAC Traditional name: nickel(2+) ion diglycolate
• Synonyms: Nickel hydroxyacetate; 羟乙酸镍

Database IDs

• CAS Number: 41587-84-2
• MDL Number: MFCD00070414

CALCULATED PROPERTIES

• Acid pKa: 3.5263226
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.006948
• LogD (pH = 7.4): -4.40795
• Log P: -1.0405937
• Molar Refractivity: 25.183 cm^3
• Polarizability: 5.64681 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-61-20/22-42/43-48/23-68-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H334-H350-H360-H372-H317-H341-H400-H410-H302-H332
• GHS Precautionary statements: P273-P201-P308+P313-P501A

Product Information

• Purity: Ni 27-29%