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4-(1-Hexyn-1-yl)benzonitrile

4-(1-Hexyn-1-yl)benzonitrile structure

CAS No:
175203-91-5
Formula:
C13H13N
Chemical Name:
4-(1-Hexyn-1-yl)benzonitrile
Synonyms:
Benzonitrile,4-(1-hexyn-1-yl)-;Benzonitrile,4-(1-hexynyl)-;4-(1-Hexyn-1-yl)benzonitrile;1-(4-Cyanophenyl)-1-hexyne

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4-(1-Hexyn-1-yl)benzonitrile Basic Attributes

Molecular Weight：

183.24900

Exact Mass：

183.25

DSSTox ID：

DTXSID90381411

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

3.09998

Density：

1g/cm3

Boiling Point：

309.7ºC

Flash Point：

141.6ºC

Refractive Index：

1.54

Vapor Pressure：

0.00063mmHg at 25°C

Computed Properties

Molecular Weight:183.25
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:183.104799419
Monoisotopic Mass:183.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1-Hexyn-1-yl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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