Home Nitriles 5,5-dimethyl-3-oxohexanenitrile

5,5-dimethyl-3-oxohexanenitrile

CAS No.:
96798-17-3
Catalog Number:
AG019WKZ
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
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Product Description
Catalog Number:
AG019WKZ
Chemical Name:
5,5-dimethyl-3-oxohexanenitrile
CAS Number:
96798-17-3
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD11187380
IUPAC Name:
5,5-dimethyl-3-oxohexanenitrile
InChI:
InChI=1S/C8H13NO/c1-8(2,3)6-7(10)4-5-9/h4,6H2,1-3H3
InChI Key:
MCQFYSVKFNTDKV-UHFFFAOYSA-N
SMILES:
N#CCC(=O)CC(C)(C)C
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties