2-methoxypropanenitrile

• ChemBase ID: 310028
• Molecular Formular: C4H7NO
• Molecular Mass: 85.10448
• Monoisotopic Mass: 85.05276385
• SMILES: N#CC(OC)C
• Canonical SMILES: CC(C#N)OC
• InChI: InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3
• InChIKey: SFPQDYSOPQHZAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypropanenitrile
• IUPAC Traditional name: 2-methoxypropanenitrile
• Synonyms: 2-methoxypropanenitrile

Database IDs

• CAS Number: 33695-59-9
• MDL Number: MFCD16079402

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.22924586
• LogD (pH = 7.4): 0.22924586
• Log P: 0.22924586
• Molar Refractivity: 22.5703 cm^3
• Polarizability: 8.650494 Å^3
• Polar Surface Area: 33.02 Å^2