diiron(3+) ion hexahydrate trioxalate

• ChemBase ID: 303145
• Molecular Formular: C6H12Fe2O18
• Molecular Mass: 483.83868
• Monoisotopic Mass: 483.87223854
• SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.[Fe+3].[Fe+3]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].O.O.O.O.O.O.[Fe+3].[Fe+3]
• InChI: InChI=1S/3C2H2O4.2Fe.6H2O/c3*3-1(4)2(5)6;;;;;;;;/h3*(H,3,4)(H,5,6);;;6*1H2/q;;;2*+3;;;;;;/p-6
• InChIKey: FWXIZVVTJVNNRX-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: diiron(3+) ion hexahydrate trioxalate
• IUPAC Traditional name: diiron(3+) ion hexahydrate trioxalate
• Synonyms: Iron(III) oxalate hexahydrate; 草酸铁(III) 六水化物

Database IDs

• CAS Number: 166897-40-1
• EC Number: 220-951-7
• MDL Number: MFCD00054430

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

• Apperance: Powder

Safety Information

• European Hazard Symbols: X
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22
• Safety Statements: 24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280-P302+P352-P322-P301+P312-P312-P501A