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2-BENZOYLHEXANENITRILE

2-BENZOYLHEXANENITRILE structure

CAS No:
561305-79-1
Formula:
C13H15NO
Chemical Name:
2-BENZOYLHEXANENITRILE
Synonyms:
2-benzoylhexanenitrile;2-(phenylcarbonyl)hexanenitrile;CTK5A4671;DTXSID50375735;DB-020553;FT-0644788;A830926

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2-BENZOYLHEXANENITRILE Basic Attributes

Molecular Weight：

201.26

Exact Mass：

201.11500

DSSTox ID：

DTXSID50375735

Characteristics

PSA：

40.9

XLogP3：

3.19928

Density：

1.02g/cm3

Boiling Point：

341ºC at 760 mmHg

Flash Point：

160.1ºC

Refractive Index：

1.513

Computed Properties

Molecular Weight:201.26
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:201.115364102
Monoisotopic Mass:201.115364102
Topological Polar Surface Area:40.9
Heavy Atom Count:15
Complexity:245
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-BENZOYLHEXANENITRILE

Basic Attributes
Characteristics
Computed Properties

2-BENZOYLHEXANENITRILE

SDS

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