6-Cyanocyclohex-3-ene-1-carboxylic acid

Base Information

• Chemical Name: 6-Cyanocyclohex-3-ene-1-carboxylic acid
• CAS No.: 115747-07-4
• Molecular Formula: C8H9 N O2
• Molecular Weight: 151.16
• DSSTox Substance ID: DTXSID10534124
• Mol file: 115747-07-4.mol

Synonyms:115747-07-4;6-Cyanocyclohex-3-ene-1-carboxylic acid;3-Cyclohexene-1-carboxylic acid, 6-cyano-;6-Cyanocyclohex-3-enecarboxylic acid;3-Cyclohexene-1-carboxylicacid,6-cyano-(9CI);DTXSID10534124

Chemical Property of 6-Cyanocyclohex-3-ene-1-carboxylic acid

Chemical Property:

• PSA: 61.09000
• LogP: 1.17698
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 236

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC(C1C#N)C(=O)O