Home Nitriles 2,2-dimethyl-4-oxopentanenitrile

2,2-dimethyl-4-oxopentanenitrile

CAS No.:
33235-13-1
Catalog Number:
AG01B51B
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG01B51B
Chemical Name:
2,2-dimethyl-4-oxopentanenitrile
CAS Number:
33235-13-1
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD21184618
IUPAC Name:
2,2-dimethyl-4-oxopentanenitrile
InChI:
InChI=1S/C7H11NO/c1-6(9)4-7(2,3)5-8/h4H2,1-3H3
InChI Key:
XHJHGJBVGBKYJD-UHFFFAOYSA-N
SMILES:
N#CC(CC(=O)C)(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:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties