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4-Oxobutanenitrile

4-Oxobutanenitrile structure

CAS No:
3515-93-3
Formula:
C4H5NO
Chemical Name:
4-Oxobutanenitrile
Synonyms:
Butanenitrile,4-oxo-;Succinaldehydonitrile;Propionaldehyde,3-cyano-;4-Oxobutanenitrile;β-Cyanopropionaldehyde;3-Cyanopropionaldehyde;3-Formylpropionitrile;3-Cyanopropanal;4-Oxobutyronitrile;β-Cyanopropionic aldehyde

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4-Oxobutanenitrile Basic Attributes

Molecular Weight：

83.089

Exact Mass：

83.09

EC Number：

222-518-8

DSSTox ID：

DTXSID60188651

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

-0.51

Density：

1.0±0.1 g/cm3

Boiling Point：

77 °C

Flash Point：

80.4±22.6 °C

Refractive Index：

1.400

Computed Properties

Molecular Weight:83.09
XLogP3:-0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:83.037113783
Monoisotopic Mass:83.037113783
Topological Polar Surface Area:40.9
Heavy Atom Count:6
Complexity:78.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Oxobutanenitrile

Basic Attributes
Characteristics
Computed Properties

4-Oxobutanenitrile

SDS

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