bis($l^{1}-cerium(1+) ion) oxalate

• ChemBase ID: 108512
• Molecular Formular: C2Ce2O4
• Molecular Mass: 368.251
• Monoisotopic Mass: 367.79053448
• SMILES: [Ce+].[Ce+].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[Ce+].[Ce+]
• InChI: InChI=1S/C2H2O4.2Ce/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
• InChIKey: LTRMJGWQJOWOPE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis($l^{1}-cerium(1+) ion) oxalate
• IUPAC Traditional name: bis($l^{1}-cerium(1+) ion) oxalate ion
• Synonyms: CEROUS OXALATE NONAHYDRATE

Database IDs

• CAS Number: 139-42-4
• EC Number: 205-362-5
• PubChem SID: 162094691
• PubChem CID: 8762

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: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207650

MP Biomedicals Rare Chemical collection