4-Hydroxy-4-methylhex-2-ynenitrile

Base Information

• Chemical Name: 4-Hydroxy-4-methylhex-2-ynenitrile
• CAS No.: 32837-88-0
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• DSSTox Substance ID: DTXSID20501180
• Nikkaji Number: J917.447H
• Mol file: 32837-88-0.mol

Synonyms:4-Hydroxy-4-methylhex-2-ynenitrile;32837-88-0;DTXSID20501180;4-hydroxy-4-methylhex-2-ynenit-rile

Chemical Property of 4-Hydroxy-4-methylhex-2-ynenitrile

Chemical Property:

• Boiling Point: 194.4±42.0 °C(Predicted)
• PSA: 44.02000
• Density: 1.040±0.06 g/cm3(Predicted)
• LogP: 0.67438
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C#CC#N)O