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4-(2-OXOACETYL)BENZONITRILE

4-(2-OXOACETYL)BENZONITRILE structure

CAS No:
20099-53-0
Formula:
C9H5NO2
Chemical Name:
4-(2-OXOACETYL)BENZONITRILE
Synonyms:
4-(2-oxoacetyl)benzonitrile;4-Cyanophenylglyoxal;4-oxaldehydoylbenzonitrile;Benzonitrile,4-(2-oxoacetyl)-;4-(2,2-dihydroxyacetyl)benzonitrile;PubChem12160;PubChem22236;PubChem22237;4-(Oxoacetyl)benzonitrile;SCHEMBL1673513

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4-(2-OXOACETYL)BENZONITRILE Basic Attributes

Molecular Weight：

159.14100

Exact Mass：

159.03200

HScode：

2926909090

Characteristics

PSA：

57.93000

XLogP3：

0.93988

Density：

1.251 g/cm3

Boiling Point：

305.114ºC at 760 mmHg

Flash Point：

138.328ºC

Computed Properties

Molecular Weight:159.14
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:159.032028402
Monoisotopic Mass:159.032028402
Topological Polar Surface Area:57.9
Heavy Atom Count:12
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2-OXOACETYL)BENZONITRILE

Basic Attributes
Characteristics
Computed Properties

4-(2-OXOACETYL)BENZONITRILE

SDS

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