dizirconium(4+) ion methanedione tetraoxidandiide

• ChemBase ID: 303704
• Molecular Formular: CO6Zr2
• Molecular Mass: 290.4551
• Monoisotopic Mass: 287.77889572
• SMILES: C(=O)=O.[O-2].[O-2].[O-2].[O-2].[Zr+4].[Zr+4]
• Canonical SMILES: O=C=O.[O-2].[O-2].[O-2].[O-2].[Zr+4].[Zr+4]
• InChI: InChI=1S/CO2.4O.2Zr/c2-1-3;;;;;;/q;4*-2;2*+4
• InChIKey: WBBGYCZRCJMHEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dizirconium(4+) ion methanedione tetraoxidandiide
• IUPAC Traditional name: dizirconium(4+) ion carbon dioxide tetraoxidandiide
• Synonyms: Zirconium oxycarbonate; Zirconium carbonate, basic hydrate; 碳酸锆, 碱性水合物

Database IDs

• CAS Number: 57219-64-4
• EC Number: 260-633-5
• MDL Number: MFCD00172265

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2789571
• LogD (pH = 7.4): -0.2789571
• Log P: -0.2789571
• Molar Refractivity: 6.3844 cm^3
• Polarizability: 2.6601136 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Density: 2.2

Safety Information

• TSCA Listed: 是