Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile

Base Information

• Chemical Name: Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile
• CAS No.: 117917-37-0
• Molecular Formula: C9H5N
• DSSTox Substance ID: DTXSID50531990
• Wikidata: Q82404253
• Mol file: 117917-37-0.mol

Synonyms:Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile;1-cyanobenzocyclobutene;117917-37-0;Cyanobenzocyclobuten;SCHEMBL3946811;DTXSID50531990;bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carbonitrile

Chemical Property of Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.042199164
• Heavy Atom Count: 10
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC(=C2C=C1)C#N