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4-Methyl-2-oxopentanenitrile

4-Methyl-2-oxopentanenitrile structure

CAS No:
66582-16-9
Formula:
C6H9NO
Chemical Name:
4-Methyl-2-oxopentanenitrile
Synonyms:
Pentanenitrile,4-methyl-2-oxo-;Valeronitrile,4-methyl-2-oxo-;4-Methyl-2-oxopentanenitrile;3-Methylbutanoyl cyanide

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4-Methyl-2-oxopentanenitrile Basic Attributes

Molecular Weight：

111.14200

Exact Mass：

111.14

EC Number：

266-413-5

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

1.12518

Density：

0.938g/cm3

Boiling Point：

145-149 °C

Flash Point：

32.2ºC

Refractive Index：

1.416

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1993

Computed Properties

Molecular Weight:111.14
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:111.068413911
Monoisotopic Mass:111.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:8
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methyl-2-oxopentanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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