Home Nitriles Cycloheptanecarbonitrile

Cycloheptanecarbonitrile

CAS No.:
32730-85-1
Catalog Number:
AG003P4D
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
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Product Description
Catalog Number:
AG003P4D
Chemical Name:
Cycloheptanecarbonitrile
CAS Number:
32730-85-1
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD00004148
IUPAC Name:
cycloheptanecarbonitrile
InChI:
InChI=1S/C8H13N/c9-7-8-5-3-1-2-4-6-8/h8H,1-6H2
InChI Key:
UIZRDFICGGONJJ-UHFFFAOYSA-N
SMILES:
N#CC1CCCCCC1
EC Number:
251-180-4
NSC Number:
84183
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties