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2,4-Pentadienenitrile

2,4-Pentadienenitrile structure

CAS No:
1615-70-9
Formula:
C5H5N
Chemical Name:
2,4-Pentadienenitrile
Synonyms:
2,4-Pentadienenitrile;1,3-Butadiene,1-cyano-;1-Cyano-1,3-butadiene;1-Cyanobutadiene;NSC 509215

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2,4-Pentadienenitrile Basic Attributes

Molecular Weight：

79.09990

Exact Mass：

79.10

EC Number：

216-566-9

DSSTox ID：

DTXSID8075099

Characteristics

PSA：

23.79000

XLogP3：

1.25218

Density：

0.8644 g/cm³ @ Temp: 20 °C

Melting Point：

-60 °C

Boiling Point：

136.5 °C

Flash Point：

39.1ºC

Refractive Index：

1.447

Water Solubility：

0.19 M

Vapor Pressure：

7.36mmHg at 25°C

Computed Properties

Molecular Weight:79.10
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:79.042199164
Monoisotopic Mass:79.042199164
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:102
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Pentadienenitrile

Basic Attributes
Characteristics
Computed Properties

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