3-oxo-2,4-dioxa-3-titana-1,5-dicaesapentane

• ChemBase ID: 126321
• Molecular Formular: Cs2O3Ti
• Molecular Mass: 361.6761
• Monoisotopic Mass: 361.74359216
• SMILES: O=[Ti](O[Cs])O[Cs]
• Canonical SMILES: [Cs]O[Ti](=O)O[Cs]
• InChI: InChI=1S/2Cs.3O.Ti
• InChIKey: CNTDKZABZQCKLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-oxo-2,4-dioxa-3-titana-1,5-dicaesapentane
• IUPAC Traditional name: caesium titanate
• Synonyms: Caesium titanium oxide; Caesium titanate

Database IDs

• CAS Number: 12158-57-5
• PubChem SID: 162220659
• PubChem CID: 44720987
• Wikipedia Title: Caesium_titanate

CALCULATED PROPERTIES

• H Donor: 0
• H Acceptors: 2
• LogD (pH = 5.5): 0.191
• LogD (pH = 7.4): 0.191
• Log P: 0.191
• Molar Refractivity: 4.1433 cm^3
• Polarizability: 16.860075 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: White powder

Safety Information

• Risk Statements: R36/37
• Safety Statements: S26
• Main Hazard: Irritant (Xi)
• NFPA704:
  

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