iron(3+) ion triformate

• ChemBase ID: 109941
• Molecular Formular: C3H3FeO6
• Molecular Mass: 190.89732
• Monoisotopic Mass: 190.92790032
• SMILES: [Fe+3].[O-]C=O.[O-]C=O.[O-]C=O
• Canonical SMILES: [O-]C=O.[O-]C=O.[O-]C=O.[Fe+3]
• InChI: InChI=1S/3CH2O2.Fe/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
• InChIKey: WHRBSMVATPCWLU-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion triformate
• IUPAC Traditional name: ferric iron tris(formira)
• Synonyms: FERRIC FORMATE

Database IDs

• CAS Number: 555-76-0
• PubChem SID: 162095374
• PubChem CID: 68391

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213102

MP Biomedicals Rare Chemical collection