Home Nitriles Cyclohexanecarbonitrile, methyl-

Cyclohexanecarbonitrile, methyl-

CAS No.:
62718-34-7
Catalog Number:
AG00IB2O
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
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Product Description
Catalog Number:
AG00IB2O
Chemical Name:
Cyclohexanecarbonitrile, methyl-
CAS Number:
62718-34-7
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD13180546
IUPAC Name:
1-methylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H13N/c1-8(7-9)5-3-2-4-6-8/h2-6H2,1H3
InChI Key:
KYVFVCXSNCUBTI-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCCCC1
Properties
Complexity:
134  
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:
2.4  
Properties