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5-OXO-5-PHENYLVALERONITRILE

5-OXO-5-PHENYLVALERONITRILE structure

CAS No:
10413-00-0
Formula:
C11H11NO
Chemical Name:
5-OXO-5-PHENYLVALERONITRILE
Synonyms:
4-Formyl-1-naphthonitrile; 5-oxo-5-phenyl-valeronitrile; 1-Naphthalenecarbonitrile,4-formyl; 4-Formyl-1-cyan-naphthalin; 4-formyl-naphthalene-1-carbonitrile; 5-oxo-5-phenylpentanenitrile; 4-cyano-1-phenyl-1-butanone; 4-benzoylbutanenitrile; 4-cyanonaphthalene-1-carboxyaldehyde; 1-formyl-4-cyanonaphthalene; 4-cyano-1-naphthaldehyde; 4-Cyanonaphthalene-1-carboxaldehyde; 4-cyano-1-phenylbutan-1-one;Expand

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5-OXO-5-PHENYLVALERONITRILE Basic Attributes

Molecular Weight：

173.21100

Exact Mass：

173.084063974 g/mol

NSC Number：

222801

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

2.56318

Density：

1.057g/cm3

Boiling Point：

341.6ºC

Flash Point：

160.4ºC

Refractive Index：

1.523

Vapor Pressure：

7.95E-05mmHg at 25°C

Computed Properties

Molecular Weight:173.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:173.084063974
Monoisotopic Mass:173.084063974
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-OXO-5-PHENYLVALERONITRILE

Basic Attributes
Characteristics
Computed Properties

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