dititanium(4+) ion dibismuth(3+) ion heptaoxidandiide

• ChemBase ID: 111613
• Molecular Formular: Bi2O7Ti2
• Molecular Mass: 625.6906
• Monoisotopic Mass: 625.82109094
• SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Bi+3].[Bi+3]
• Canonical SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Bi+3].[Bi+3]
• InChI: InChI=1S/2Bi.7O.2Ti/q2*+3;7*-2;2*+4
• InChIKey: VDESGIACEFVDCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dititanium(4+) ion dibismuth(3+) ion heptaoxidandiide
• IUPAC Traditional name: dititanium(4+) ion dibismuth(3+) ion heptakis(oxide(2-))
• Synonyms: BISMUTH TITANATE

Database IDs

• CAS Number: 11115-71-2
• EC Number: 234-352-3
• PubChem SID: 162089395
• PubChem CID: 165913

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: false

DETAILS

MP Biomedicals - 05220021

MP Biomedicals Rare Chemical collection