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2,4,4-Trimethyl-3-oxopentanenitrile

2,4,4-Trimethyl-3-oxopentanenitrile structure

CAS No:
29509-04-4
Formula:
C8H13NO
Chemical Name:
2,4,4-Trimethyl-3-oxopentanenitrile
Synonyms:
Pentanenitrile,2,4,4-trimethyl-3-oxo-;Valeronitrile,2,4,4-trimethyl-3-oxo-;2,4,4-Trimethyl-3-oxopentanenitrile;2-Cyano-4,4-dimethyl-3-pentanone;159977-11-4

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2,4,4-Trimethyl-3-oxopentanenitrile Basic Attributes

Molecular Weight：

139.19500

Exact Mass：

139.19

EC Number：

249-672-9

Characteristics

PSA：

40.86000

XLogP3：

1.76128

Density：

0.918g/cm3

Boiling Point：

189.8ºC

Flash Point：

68.6ºC

Refractive Index：

1.427

Vapor Pressure：

0.56mmHg at 25°C

Computed Properties

Molecular Weight:139.19
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:139.099714038
Monoisotopic Mass:139.099714038
Topological Polar Surface Area:40.9
Heavy Atom Count:10
Complexity:179
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4,4-Trimethyl-3-oxopentanenitrile

Basic Attributes
Characteristics
Computed Properties

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