CC(C)(C)C(=O)C#N
CAS: 42867-40-3
Name: 2,2-dimethylpropanoyl cyanide
SMILES: CC(C)(C)C(=O)C#N

Molecular Processing

Molecular formula
C6H9NO
Molecular weight
111.14
Exact mass
111.0684
XLogP
1.13
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
30.07

Supplementary Information

InChIKey: NPBLQPWAISGYEU-UHFFFAOYSA-N
Synonyme
42867-40-33,3-Dimethyl-2-oxobutanenitrileButanenitrile, 3,3-dimethyl-2-oxo-DTXSID2073516RefChem:1065625DTXCID5040178255-978-3Pivaloyl cyanide2,2-dimethylpropanoyl cyanideMFCD00043120Trimethylacetyl cyanideTrimethylpyruvonitrile3,3-Dimethyl-2-oxobutyronitrileEINECS 255-978-3Trimethylbrenztraubensaurenitril [German]Trimethylbrenztraubensaurenitrilt-butyl cyanoketoneSCHEMBL259974733-Dimethyl-2-oxobutanenitrileAKOS006229682SY251873DB-210135NS00060744F84805F900212
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