zirconium(4+) ion dioxalate

• ChemBase ID: 111895
• Molecular Formular: C4O8Zr
• Molecular Mass: 267.262
• Monoisotopic Mass: 265.86402096
• SMILES: [Zr+4].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[Zr+4]
• InChI: InChI=1S/2C2H2O4.Zr/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);/q;;+4/p-4
• InChIKey: DAWBXZHBYOYVLB-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion dioxalate
• IUPAC Traditional name: zirconium(4+) ion dioxalate
• Synonyms: ZIRCONIUM OXALATE

Database IDs

• CAS Number: 14536-19-7
• PubChem SID: 162096748
• PubChem CID: 10199231

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221598

MP Biomedicals Rare Chemical collection