Home Nitriles 4,4-dimethyl-3-oxohexanenitrile

4,4-dimethyl-3-oxohexanenitrile

CAS No.:
876299-62-6
Catalog Number:
AG01BGB8
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
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Product Description
Catalog Number:
AG01BGB8
Chemical Name:
4,4-dimethyl-3-oxohexanenitrile
CAS Number:
876299-62-6
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD16844778
IUPAC Name:
4,4-dimethyl-3-oxohexanenitrile
InChI:
InChI=1S/C8H13NO/c1-4-8(2,3)7(10)5-6-9/h4-5H2,1-3H3
InChI Key:
FCKUFAMJTSMJSW-UHFFFAOYSA-N
SMILES:
CCC(C(=O)CC#N)(C)C
Properties
Complexity:
173  
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:
1.6  
Properties