methyl nitrite

• ChemBase ID: 128340
• Molecular Formular: CH3NO2
• Molecular Mass: 61.04002
• Monoisotopic Mass: 61.01637834
• SMILES: O=NOC
• Canonical SMILES: CON=O
• InChI: InChI=1S/CH3NO2/c1-4-2-3/h1H3
• InChIKey: BLLFVUPNHCTMSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl nitrite
• IUPAC Traditional name: methyl nitrite
• Synonyms: Methyl nitrite

Database IDs

• CAS Number: 624-91-9
• PubChem SID: 162222648
• PubChem CID: 12231
• Chemspider ID: 11730
• Wikipedia Title: Methyl_nitrite

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5440984
• LogD (pH = 7.4): 0.5440984
• Log P: 0.5440984
• Molar Refractivity: 13.204 cm^3
• Polarizability: 4.506002 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -16°C
• Boiling Point: -12°C