Home Nitriles Cyclohepta-2,4,6-trienecarbonitrile

Cyclohepta-2,4,6-trienecarbonitrile

CAS No.:
13612-59-4
Catalog Number:
AG003FMC
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
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Product Description
Catalog Number:
AG003FMC
Chemical Name:
Cyclohepta-2,4,6-trienecarbonitrile
CAS Number:
13612-59-4
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD02752619
IUPAC Name:
cyclohepta-2,4,6-triene-1-carbonitrile
InChI:
InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
InChI Key:
LADCKIXFXIKHQM-UHFFFAOYSA-N
SMILES:
N#CC1C=CC=CC=C1
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.058g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.151g/mol
Monoisotopic Mass:
117.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties