diiron(3+) ion trioxalate

• ChemBase ID: 127411
• Molecular Formular: C6Fe2O12
• Molecular Mass: 375.747
• Monoisotopic Mass: 375.80885044
• SMILES: [Fe+3].[Fe+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-].[Fe+3].[Fe+3]
• InChI: InChI=1S/3C2H2O4.2Fe/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
• InChIKey: VEPSWGHMGZQCIN-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: diiron(3+) ion trioxalate
• IUPAC Systematic name: iron(3+) ethanedioate (2:3)
• IUPAC Traditional name: diiron(3+) ion trioxalate
• Synonyms: Ferric oxalate

Database IDs

• EC Number: 220-951-7
• PubChem SID: 162221732
• PubChem CID: 168963
• Chemspider ID: 147789
• Wikipedia Title: Ferric_oxalate

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: true

PROPERTIES

Physical Property

• Solubility: slightly soluble in water
• Apperance: pale yellow powder
• Melting Point: 150-160 °C (dihydrate)
• Density: 2.28 g/cm^3 (dihydrate)
• Odor: odorless

Safety Information

• Safety Statements: R