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4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE

4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE structure

CAS No:
91973-34-1
Formula:
C12H10N2O
Chemical Name:
4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE
Synonyms:
4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE;4-(1-cyano-2-oxobutyl)benzonitrile;CTK5H0745;DTXSID70468294;AKOS006288139;Benzeneacetonitrile, 4-cyano-alpha-(1-oxopropyl)-

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4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE Basic Attributes

Molecular Weight：

198.225

Exact Mass：

198.079

DSSTox ID：

DTXSID70468294

Characteristics

PSA：

64.6

XLogP3：

1.7

Computed Properties

Molecular Weight:198.22
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:198.079312947
Monoisotopic Mass:198.079312947
Topological Polar Surface Area:64.6
Heavy Atom Count:15
Complexity:322
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE

Basic Attributes
Characteristics
Computed Properties

4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE

SDS

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