1-(2-methoxyphenyl)cyclopropane-1-carbonitrile

• ChemBase ID: 816094
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: C1(CC1)(C#N)c1c(cccc1)OC
• Canonical SMILES: N#CC1(CC1)c1ccccc1OC
• InChI: InChI=1S/C11H11NO/c1-13-10-5-3-2-4-9(10)11(8-12)6-7-11/h2-5H,6-7H2,1H3
• InChIKey: VUEKQWHCWVLVDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)cyclopropane-1-carbonitrile
• IUPAC Traditional name: 1-(2-methoxyphenyl)cyclopropane-1-carbonitrile
• Synonyms: 1-(2-METHOXYPHENYL)CYCLOPROPANECARBONITRILE

Database IDs

• CAS Number: 74204-96-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1465464
• LogD (pH = 7.4): 2.1465464
• Log P: 2.1465464
• Molar Refractivity: 50.0814 cm^3
• Polarizability: 19.319519 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%