Methyl alpha-cyano-1-cyclohexene-1-acetate

Base Information

• Chemical Name: Methyl alpha-cyano-1-cyclohexene-1-acetate
• CAS No.: 80632-53-7
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.2157
• European Community (EC) Number: 279-519-1
• UNII: SS7WA2J9ZQ
• DSSTox Substance ID: DTXSID101001353
• Nikkaji Number: J320.293C
• Mol file: 80632-53-7.mol

Synonyms:80632-53-7;SS7WA2J9ZQ;Methyl alpha-cyano-1-cyclohexene-1-acetate;EINECS 279-519-1;UNII-SS7WA2J9ZQ;DTXSID101001353;AKOS022505346;Methyl cyano(cyclohex-1-en-1-yl)acetate;1-Cyclohexene-1-aceticacid,a-cyano-,methyl ester;alpha-Cyano-1-cyclohexene-1-acetic acid methyl ester;METHYL 2-CYANO-2-(1-CYCLOHEXEN-1-YL)ACETATE;1-CYCLOHEXENE-1-ACETIC ACID, .ALPHA.-CYANO-, METHYL ESTER

Chemical Property of Methyl alpha-cyano-1-cyclohexene-1-acetate

Chemical Property:

• Boiling Point: 280.4°Cat760mmHg
• Flash Point: 127.5°C
• PSA: 50.09000
• Density: 1.098g/cm³
• LogP: 1.79958
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C#N)C1=CCCCC1