1-Cyanononan-4-YL acetate

Base Information

• Chemical Name: 1-Cyanononan-4-YL acetate
• CAS No.: 89701-69-9
• Molecular Formula: C12H21NO2
• Molecular Weight: 211.304
• DSSTox Substance ID: DTXSID90520747
• Mol file: 89701-69-9.mol

Synonyms:1-CYANONONAN-4-YL ACETATE;89701-69-9;DTXSID90520747

Chemical Property of 1-Cyanononan-4-YL acetate

Chemical Property:

• Boiling Point: 110 °C(Press: 0.2 Torr)
• PSA: 50.09000
• Density: 0.943±0.06 g/cm3(Predicted)
• LogP: 3.19228
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 211.157228913
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCCC#N)OC(=O)C