8,9-Dihydro-7H-benzocycloheptene-2-carbonitrile

Base Information

• Chemical Name: 8,9-Dihydro-7H-benzocycloheptene-2-carbonitrile
• CAS No.: 939761-00-9
• Molecular Formula: C12H11N
• Molecular Weight: 169.22244
• DSSTox Substance ID: DTXSID90585795
• Mol file: 939761-00-9.mol

Synonyms:8,9-Dihydro-7H-benzocycloheptene-2-carbonitrile;939761-00-9;8,9-dihydro-7H-benzo[7]annulene-2-carbonitrile;6,7-Dihydro-5H-benzo[7]annulene-3-carbonitrile;DTXSID90585795;AKOS006288758

Chemical Property of 8,9-Dihydro-7H-benzocycloheptene-2-carbonitrile

Chemical Property:

• PSA: 23.79000
• LogP: 2.90778
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 169.089149355
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

98% ^*data from raw suppliers

8,9-DIHYDRO-7H-BENZOCYCLOHEPTENE-2-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CC2=C(C1)C=C(C=C2)C#N