Home Nitriles 3,3,5-trimethylcyclohexane-1-carbonitrile

3,3,5-trimethylcyclohexane-1-carbonitrile

CAS No.:
191092-97-4
Catalog Number:
AG01A5E6
Molecular Formula:
C10H17N
Molecular Weight:
151.2487
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Product Description
Catalog Number:
AG01A5E6
Chemical Name:
3,3,5-trimethylcyclohexane-1-carbonitrile
CAS Number:
191092-97-4
Molecular Formula:
C10H17N
Molecular Weight:
151.2487
MDL Number:
MFCD11641464
IUPAC Name:
3,3,5-trimethylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C10H17N/c1-8-4-9(7-11)6-10(2,3)5-8/h8-9H,4-6H2,1-3H3
InChI Key:
CVBCTLYWLHEJQQ-UHFFFAOYSA-N
SMILES:
N#CC1CC(C)CC(C1)(C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.136g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.253g/mol
Monoisotopic Mass:
151.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties