nonakis(formaldehyde) iron

• ChemBase ID: 111941
• Molecular Formular: C9H18FeO9
• Molecular Mass: 326.07882
• Monoisotopic Mass: 326.03001966
• SMILES: [Fe].C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O
• Canonical SMILES: O=C.O=C.O=C.O=C.O=C.O=C.O=C.O=C.O=C.[Fe]
• InChI: InChI=1S/9CH2O.Fe/c9*1-2;/h9*1H2
• InChIKey: NWAHCHBVEBEBFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonakis(formaldehyde) iron
• IUPAC Traditional name: nonakis(formaldehyde) iron
• Synonyms: IRON NONACARBONYL

Database IDs

• CAS Number: 20982-74-5
• PubChem SID: 162097253
• PubChem CID: 25021802

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.46697542
• LogD (pH = 7.4): -0.46697542
• Log P: -0.46697542
• Molar Refractivity: 6.306999 cm^3
• Polarizability: 2.676496 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100°C

DETAILS

MP Biomedicals - 05221855

MP Biomedicals Rare Chemical collection