dibismuth(3+) ion trioxalate

• ChemBase ID: 106759
• Molecular Formular: C6Bi2O12
• Molecular Mass: 682.0178
• Monoisotopic Mass: 681.89977144
• SMILES: [Bi+3].[Bi+3].[O-]C(=O)C(=O)[O-].[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-].[O-]C(=O)C(=O)[O-].[Bi+3].[Bi+3]
• InChI: InChI=1S/3C2H2O4.2Bi/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
• InChIKey: FIMTUWGINXDGCK-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dibismuth(3+) ion trioxalate
• IUPAC Traditional name: dibismuth(3+) ion trioxalate ion
• Synonyms: BISMUTH OXALATE

Database IDs

• CAS Number: 6591-55-5
• PubChem SID: 162087706
• PubChem CID: 516804

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: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05201335

MP Biomedicals Rare Chemical collection