λ2-iron(2+) ion tetrakis(methanidylidyneoxidanium) dihydride

• ChemBase ID: 127858
• Molecular Formular: C4FeO4++
• Molecular Mass: 167.8854
• Monoisotopic Mass: 167.91459598
• SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe+2]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe+2]
• InChI: InChI=1S/4CO.Fe/c4*1-2;/q;;;;+2
• InChIKey: NQNJPGQBBBCLBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion tetrakis(methanidylidyneoxidanium) dihydride
• IUPAC Traditional name: λ^2-iron(2+) ion tetrakis(carbon monoxide) dihydride
• Synonyms: Iron tetracarbonyl dihydride; tetracarbonyldihydroiron; Iron tetracarbonyl hydride

Database IDs

• CAS Number: 12002-28-7
• PubChem SID: 162222175
• PubChem CID: 518470; 139212
• Chemspider ID: 452380
• Wikipedia Title: Iron_tetracarbonyl_hydride

CALCULATED PROPERTIES

• Acid pKa: 11.316423
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9616644
• LogD (pH = 7.4): -3.9615731
• Log P: -3.9616656
• Molar Refractivity: 26.2298 cm^3
• Polarizability: 2.2798557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid (at -20 °C)
• Melting Point: -70°C
• Boiling Point: -20°C (decomposes)