Home Nitriles 3,3-dimethylcyclohexane-1-carbonitrile

3,3-dimethylcyclohexane-1-carbonitrile

CAS No.:
212382-64-4
Catalog Number:
AG01B7OK
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
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Product Description
Catalog Number:
AG01B7OK
Chemical Name:
3,3-dimethylcyclohexane-1-carbonitrile
CAS Number:
212382-64-4
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
MDL Number:
MFCD20328454
IUPAC Name:
3,3-dimethylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C9H15N/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-6H2,1-2H3
InChI Key:
FARIATAEMGAUQH-UHFFFAOYSA-N
SMILES:
N#CC1CCCC(C1)(C)C
Properties
Complexity:
161  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties