Butanenitrile, 2,2-dimethyl-3-oxo- (9CI)
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Butanenitrile, 2,2-dimethyl-3-oxo- (9CI)
structure -
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CAS No:
37719-02-1
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Formula:
C6H9NO
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Chemical Name:
Butanenitrile, 2,2-dimethyl-3-oxo- (9CI)
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Synonyms:
2,2-Dimethyl-3-oxobutanenitrile;Butanenitrile, 2,2-dimethyl-3-oxo- (9CI);Butanenitrile,2,2-dimethyl-3-oxo-;Butanenitrile, 2,2-dimethyl-3-oxo-;SCHEMBL1343515;2,2-dimethyl-3-oxobutyronitrile;CTK8B5459;DTXSID70499447;2,2-Dimethyl-3-oxo-butyronitrile;ANW-48811
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CAS No:
Butanenitrile, 2,2-dimethyl-3-oxo- (9CI) Basic Attributes
111.14176
111.06800
DTXSID70499447
2926909090
Computed Properties
Molecular Weight:111.14
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:111.068413911
Monoisotopic Mass:111.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:8
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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