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α-Cyanocinnamic acid

α-Cyanocinnamic acid structure

α-Cyanocinnamic acid 

structure
  • CAS No:

    1011-92-3

  • Formula:

    C10H7NO2

  • Chemical Name:

    α-Cyanocinnamic acid

  • Synonyms:

    2-Propenoic acid,2-cyano-3-phenyl-;Cinnamic acid,α-cyano-;2-Cyano-3-phenyl-2-propenoic acid;α-Cyanocinnamic acid;α-Cyano-β-phenylacrylic acid;2-Cyanocinnamic acid;2-Cyano-3-phenylacrylic acid;NSC 298;3-Phenyl-2-cyano-2-propenoic acid;Benzylidene ethylcyanoacetane;859282-18-1

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

α-Cyanocinnamic acid Basic Attributes

173.17

173.17

2329199

213-788-8

DTXSID6074419

2926909090

Characteristics

61.09000

1.67818

1.285g/cm3

179-180 °C

337.9ºC at 760mmHg

158.1ºC

3.98E-05mmHg at 25°C

Safety Information

20/21/22-36/37/38

26-36/37/39

GD8562500

|Danger|H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

2-cyanocinnamic acid

Computed Properties

Molecular Weight:173.17
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:173.047678466
Monoisotopic Mass:173.047678466
Topological Polar Surface Area:61.1
Heavy Atom Count:13
Complexity:266
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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