Ethyl cyano(4-methylcycloheptyl)acetate

Base Information

• Chemical Name: Ethyl cyano(4-methylcycloheptyl)acetate
• CAS No.: 5452-85-7
• Molecular Formula: C13H21NO2
• Molecular Weight: 223.3113
• NSC Number: 18998
• DSSTox Substance ID: DTXSID50280895

Synonyms:5452-85-7;ethyl cyano(4-methylcycloheptyl)acetate;NSC18998;DTXSID50280895;NSC-18998

Chemical Property of Ethyl cyano(4-methylcycloheptyl)acetate

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Boiling Point: 333.3°Cat760mmHg
• Flash Point: 157.4°C
• Density: 0.987g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 223.157228913
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C#N)C1CCCC(CC1)C

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