Home Nitriles 4,4-dimethylcyclohexane-1-carbonitrile

4,4-dimethylcyclohexane-1-carbonitrile

CAS No.:
25186-25-8
Catalog Number:
AG019RRO
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
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Product Description
Catalog Number:
AG019RRO
Chemical Name:
4,4-dimethylcyclohexane-1-carbonitrile
CAS Number:
25186-25-8
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
MDL Number:
MFCD20319755
IUPAC Name:
4,4-dimethylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C9H15N/c1-9(2)5-3-8(7-10)4-6-9/h8H,3-6H2,1-2H3
InChI Key:
UBFPZDQIUHSLBE-UHFFFAOYSA-N
SMILES:
N#CC1CCC(CC1)(C)C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.226g/mol
Monoisotopic Mass:
137.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties