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Cyclohexyl 2-cyanoacetate

Cyclohexyl 2-cyanoacetate structure

Cyclohexyl 2-cyanoacetate 

structure
  • CAS No:

    52688-11-6

  • Formula:

    C9H13NO2

  • Chemical Name:

    Cyclohexyl 2-cyanoacetate

  • Synonyms:

    Acetic acid,2-cyano-,cyclohexyl ester;Acetic acid,cyano-,cyclohexyl ester;Cyclohexyl 2-cyanoacetate;Cyclohexyl cyanoacetate;NSC 69952;2-Cyano-acetic acid cyclohexyl ester

Cyclohexyl 2-cyanoacetate Basic Attributes

167.21

167.21

258-104-9

69952

DTXSID30200657

2926909090

Characteristics

50.1

1.59

1.1±0.1 g/cm3

103-108 °C @ Press: 0.5 Torr

130.3±6.6℃

1.467

Safety Information

24-25

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.20
XLogP3:1.8
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:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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