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γ-Oxo-3-pyridinebutanenitrile

γ-Oxo-3-pyridinebutanenitrile structure

CAS No:
36740-10-0
Formula:
C9H8N2O
Chemical Name:
γ-Oxo-3-pyridinebutanenitrile
Synonyms:
3-Pyridinebutanenitrile,γ-oxo-;γ-Oxo-3-pyridinebutanenitrile;3-Cyano-1-(3-pyridyl)propan-1-one;NSC 187782;4-Oxo-4-(pyridin-3-yl)butanenitrile

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γ-Oxo-3-pyridinebutanenitrile Basic Attributes

Molecular Weight：

160.17300

Exact Mass：

160.17

NSC Number：

187782

DSSTox ID：

DTXSID60307123

Characteristics

PSA：

53.75000

XLogP3：

1.56808

Density：

1.139g/cm3

Melting Point：

65-67 °C

Boiling Point：

370ºC at 760 mmHg

Flash Point：

177.5ºC

Refractive Index：

1.531

Computed Properties

Molecular Weight:160.17
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:160.063662883
Monoisotopic Mass:160.063662883
Topological Polar Surface Area:53.8
Heavy Atom Count:12
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of γ-Oxo-3-pyridinebutanenitrile

Basic Attributes
Characteristics
Computed Properties

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