methaneperoxoic acid

• ChemBase ID: 128878
• Molecular Formular: CH2O3
• Molecular Mass: 62.02478
• Monoisotopic Mass: 62.00039392
• SMILES: O=COO
• Canonical SMILES: OOC=O
• InChI: InChI=1S/CH2O3/c2-1-4-3/h1,3H
• InChIKey: SCKXCAADGDQQCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methaneperoxoic acid
• IUPAC Traditional name: performic acid
• Synonyms: Hydroperoxyformaldehyde; formyl hydroperoxide; methaneperoxic acie; permethanoic acie; peroxyformic acid; Performic acid

Database IDs

• CAS Number: 107-32-4
• PubChem SID: 162223181
• PubChem CID: 66051
• Chemspider ID: 59441
• Wikipedia Title: Performic_acid

CALCULATED PROPERTIES

• Acid pKa: 7.5016522
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.357295
• LogD (pH = 7.4): -0.6047372
• Log P: -0.35300815
• Molar Refractivity: 9.7902 cm^3
• Polarizability: 4.222418 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -18 °C
• Boiling Point: 50 °C(13.3 kPa; 90% pure acid)
• pKa: 7.1