titanium(4+) ion dibismuth(3+) ion tris(oxotitaniumbis(olate)) dioxidandiide

• ChemBase ID: 303607
• Molecular Formular: Bi2O11Ti4
• Molecular Mass: 785.4222
• Monoisotopic Mass: 785.69664202
• SMILES: [O-2].[O-2].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[Ti+4].[Bi+3].[Bi+3]
• Canonical SMILES: [O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[O-2].[O-2].[Ti+4].[Bi+3].[Bi+3]
• InChI: InChI=1S/2Bi.11O.4Ti/q2*+3;;;;2*-2;6*-1;;;;+4
• InChIKey: KJZMAJDFWDJRHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion dibismuth(3+) ion tris(oxotitaniumbis(olate)) dioxidandiide
• IUPAC Traditional name: titanium(4+) ion dibismuth(3+) ion tris(oxotitaniumbis(olate)) dioxidandiide
• Synonyms: Bismuth titanium oxide; 钛酸铋

Database IDs

• CAS Number: 12233-34-0
• MDL Number: MFCD01310393

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.578295
• LogD (pH = 7.4): -3.7371097
• Log P: -1.4238
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 5.2817564 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: -325 Mesh Powder

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99.9% (metals basis)