Home Nitriles 3-methylcyclohexane-1-carbonitrile

3-methylcyclohexane-1-carbonitrile

CAS No.:
38857-62-4
Catalog Number:
AG018RXB
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
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Product Description
Catalog Number:
AG018RXB
Chemical Name:
3-methylcyclohexane-1-carbonitrile
CAS Number:
38857-62-4
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD11641473
IUPAC Name:
3-methylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H13N/c1-7-3-2-4-8(5-7)6-9/h7-8H,2-5H2,1H3
InChI Key:
ZVLDVDKLXFBSPU-UHFFFAOYSA-N
SMILES:
N#CC1CCCC(C1)C
Properties
Complexity:
131  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties