iron(2+) ion oxalate

• ChemBase ID: 106922
• Molecular Formular: C2FeO4
• Molecular Mass: 143.864
• Monoisotopic Mass: 143.91459598
• SMILES: [Fe+2].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[Fe+2]
• InChI: InChI=1S/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
• InChIKey: OWZIYWAUNZMLRT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(2+) ion oxalate
• IUPAC Traditional name: iron ion(2+) oxalate ion
• Synonyms: FERROUS OXALATE

Database IDs

• CAS Number: 516-03-0
• EC Number: 208-217-4
• PubChem SID: 162089098
• PubChem CID: 10589

CALCULATED PROPERTIES

• 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
• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

DETAILS

MP Biomedicals - 05201919

MP Biomedicals Rare Chemical collection