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Home > Encyclopedia > tert-butyl 2-cyanobut-2-enoate

tert-butyl 2-cyanobut-2-enoate

tert-butyl 2-cyanobut-2-enoate structure

tert-butyl 2-cyanobut-2-enoate 

structure
  • CAS No:

    1114-83-6

  • Formula:

    C9H13NO2

  • Chemical Name:

    tert-butyl 2-cyanobut-2-enoate

  • Synonyms:

    tert-butyl (E)-2-cyanobut-2-enoate; 2-Butenoic acid,2-cyano-,1,1-dimethylethyl ester; Crotonicacid,2-cyano-,tert-butyl ester (7CI,8CI);

tert-butyl 2-cyanobut-2-enoate Basic Attributes

167.20500

167.094628657 g/mol

DTXSID30291368

2926909090

Characteristics

50.09000

1.79798

0.998g/cm3

246ºC

104.9ºC

1.453

0.0377mmHg at 25°C

Computed Properties

Molecular Weight:167.20
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:167.094628657
Monoisotopic Mass:167.094628657
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:249
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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