formonitrile oxide

• ChemBase ID: 127491
• Molecular Formular: CHNO
• Molecular Mass: 43.02474
• Monoisotopic Mass: 43.00581366
• SMILES: [O-][N+]#C
• Canonical SMILES: [O-][N+]#C
• InChI: InChI=1S/CHNO/c1-2-3/h1H
• InChIKey: UXKUODQYLDZXDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: formonitrile oxide
• IUPAC Traditional name: fulminic acid
• Synonyms: Fulminic acid

Database IDs

• CAS Number: 506-85-4
• PubChem SID: 162221810
• PubChem CID: 521293
• CHEBI ID: 29813
• CHEMBL: 185198
• Chemspider ID: 454715
• Wikipedia Title: Fulminic_acid

CALCULATED PROPERTIES

• Acid pKa: 19.616884
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.4848142
• LogD (pH = 7.4): -0.48481417
• Log P: -0.48481417
• Molar Refractivity: 8.4574 cm^3
• Polarizability: 3.1844046 Å^3
• Polar Surface Area: 30.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true