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

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

CAS No.:
6809-91-2
Catalog Number:
AG003DYY
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
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Product Description
Catalog Number:
AG003DYY
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile
CAS Number:
6809-91-2
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
MDL Number:
MFCD00001350
IUPAC Name:
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
InChI:
InChI=1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2
InChI Key:
FJIDKRPZJBUHME-UHFFFAOYSA-N
SMILES:
N#CC1=Cc2c1cccc2
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.058g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.162g/mol
Monoisotopic Mass:
129.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties