Home Nitriles 5,5-dimethyl-2-oxocyclohexane-1-carbonitrile

5,5-dimethyl-2-oxocyclohexane-1-carbonitrile

CAS No.:
1480251-29-3
Catalog Number:
AG01EJWP
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
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Product Description
Catalog Number:
AG01EJWP
Chemical Name:
5,5-dimethyl-2-oxocyclohexane-1-carbonitrile
CAS Number:
1480251-29-3
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD31668779
IUPAC Name:
5,5-dimethyl-2-oxocyclohexane-1-carbonitrile
InChI:
InChI=1S/C9H13NO/c1-9(2)4-3-8(11)7(5-9)6-10/h7H,3-5H2,1-2H3
InChI Key:
NRIGTGRESBUDBE-UHFFFAOYSA-N
SMILES:
N#CC1CC(C)(C)CCC1=O
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties