titanium(4+) ion nickel(2+) ion trioxidandiide

• ChemBase ID: 128596
• Molecular Formular: NiO3Ti
• Molecular Mass: 154.5586
• Monoisotopic Mass: 153.86803306
• SMILES: [O-2].[O-2].[O-2].[Ti+4].[Ni+2]
• Canonical SMILES: [O-2].[O-2].[O-2].[Ti+4].[Ni+2]
• InChI: InChI=1S/Ni.3O.Ti/q+2;3*-2;+4
• InChIKey: KJLFZWJDCDJCFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion nickel(2+) ion trioxidandiide
• IUPAC Traditional name: titanium(4+) ion nickel(2+) ion trioxidandiide
• Synonyms: Nickel(II) titanate

Database IDs

• CAS Number: 12035-39-1
• EC Number: 234-825-4
• PubChem SID: 162222903
• PubChem CID: 166728
• Wikipedia Title: Nickel(II)_titanate

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.0396 g/100 mL in water
• Apperance: yellow powder
• Density: 4.44 g/cm^3

Safety Information

• RTECS: QS0635000
• NFPA704:
  

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