1,2,5-oxadiazol-2-ium-2-olate

• ChemBase ID: 127501
• Molecular Formular: C2H2N2O2
• Molecular Mass: 86.04948
• Monoisotopic Mass: 86.01162731
• SMILES: [O-][n+]1ccno1
• Canonical SMILES: [O-][n+]1ccno1
• InChI: InChI=1S/C2H2N2O2/c5-4-2-1-3-6-4/h1-2H
• InChIKey: KCMCIQNPQUSQKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,5-oxadiazol-2-ium-2-olate
• IUPAC Traditional name: furoxan
• Synonyms: Furazan N-oxide; Furazan 2-oxide; Furoxan

Database IDs

• CAS Number: 497-27-8
• PubChem SID: 162221820
• PubChem CID: 5325374
• Wikipedia Title: Furoxan

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8772
• LogD (pH = 7.4): -0.8772
• Log P: -0.8772
• Molar Refractivity: 39.511 cm^3
• Polarizability: 6.1976523 Å^3
• Polar Surface Area: 51.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true