Home Nitriles 2-methylcyclohexane-1-carbonitrile

2-methylcyclohexane-1-carbonitrile

CAS No.:
90154-71-5
Catalog Number:
AG01AA65
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
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Product Description
Catalog Number:
AG01AA65
Chemical Name:
2-methylcyclohexane-1-carbonitrile
CAS Number:
90154-71-5
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD11641475
IUPAC Name:
2-methylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-5H2,1H3
InChI Key:
BHPVHUWELLQKHU-UHFFFAOYSA-N
SMILES:
N#CC1CCCCC1C
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:
2.5  
Properties