trioxo-2,4-dioxa-1,5-diferra-3-titanapentane

• ChemBase ID: 303918
• Molecular Formular: Fe2O5Ti
• Molecular Mass: 239.554
• Monoisotopic Mass: 239.7923944
• SMILES: [Ti](=O)(O[Fe]=O)O[Fe]=O
• Canonical SMILES: O=[Fe]O[Ti](=O)O[Fe]=O
• InChI: InChI=1S/2Fe.5O.Ti
• InChIKey: XDDMRALGXLUUDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trioxo-2,4-dioxa-1,5-diferra-3-titanapentane
• IUPAC Traditional name: trioxo-2,4-dioxa-1,5-diferra-3-titanapentane
• Synonyms: Iron(III) titanium oxide; 钛酸铁(III)

Database IDs

• CAS Number: 12789-64-9
• EC Number: 235-828-3
• MDL Number: MFCD00064705

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2882
• LogD (pH = 7.4): 0.2882
• Log P: 0.2882
• Molar Refractivity: 7.0291 cm^3
• Polarizability: 13.2263155 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -100 Mesh Powder

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99.9% (metals basis)