barium(2+) ion dioxoironbis(olate)

• ChemBase ID: 126029
• Molecular Formular: BaFeO4
• Molecular Mass: 257.1696
• Monoisotopic Mass: 257.81984298
• SMILES: [Ba+2].[O-][Fe](=O)(=O)[O-]
• Canonical SMILES: [O-][Fe](=O)(=O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.Fe.4O/q+2;;;;2*-1
• InChIKey: JFTTYFWNHKVEMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion dioxoironbis(olate)
• IUPAC Traditional name: barium(2+) ion ferrate
• Synonyms: Barium ferrate(2-); Barium ferrate

Database IDs

• CAS Number: 13773-23-4
• Wikipedia Title: Barium_ferrate

CALCULATED PROPERTIES

• Acid pKa: 11.844022
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3752002
• LogD (pH = 7.4): -1.3752155
• Log P: -1.3752
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 6.3648696 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Dark red, opaque crystals