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Home > Encyclopedia > 4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile

4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile

4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile structure

4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile 

structure
  • CAS No:

    135097-63-1

  • Formula:

    C16H17NO3

  • Chemical Name:

    4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile

  • Synonyms:

    1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-tbo; 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane; Benzonitrile,4-[4-(1-methyl-2-propen-1-yl)-2,6,7-trioxabicyclo[2.2.2]oct-1-yl]; Cyano-tbo;

4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile Basic Attributes

271.31100

271.12084340

Characteristics

51.48000

2.55408

1.2g/cm3

377.7ºC

146.1ºC

1.57

6.63E-06mmHg at 25°C

Drug Information

1-(4-cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane

Computed Properties

Molecular Weight:271.31
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:271.12084340
Monoisotopic Mass:271.12084340
Topological Polar Surface Area:51.5
Heavy Atom Count:20
Complexity:406
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile

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