dioxouranium; bis(formic acid)

• ChemBase ID: 130093
• Molecular Formular: C2H4O6U
• Molecular Mass: 362.07847
• Monoisotopic Mass: 362.05157585
• SMILES: O=CO.O=CO.O=[U]=O
• Canonical SMILES: OC=O.OC=O.O=[U]=O
• InChI: InChI=1S/2CH2O2.2O.U/c2*2-1-3;;;/h2*1H,(H,2,3)
• InChIKey: SFIHWLKHBCDNCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxouranium; bis(formic acid)
• IUPAC Traditional name: bis(formic acid); uranium dioxide
• Synonyms: Uranyl formate

Database IDs

• CAS Number: 16984-59-1
• PubChem SID: 162224378
• PubChem CID: 86897; 25199620
• Chemspider ID: 78394
• Wikipedia Title: Uranyl_formate

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 8.1532 cm^3
• Polarizability: 3.259014 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: fine yellow powder
• Melting Point: 110 °C