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Substance Name: Acetic acid, 2-cyano-, 2-propen-1-yl ester
RN: 13361-32-5
InChIKey: WXKCRCGKCOKJEF-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-N-O2

Molecular Weight

  • 125.126
 
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Names and Synonyms

Synonyms

  • Acetic acid, cyano-, 2-propenyl ester
  • Allyl cyanoacetate
  • BRN 1905818
  • Cyanoacetic acid, allyl ester
  • EC 236-423-4
  • EINECS 236-423-4

Systematic Names

  • Acetic acid, 2-cyano-, 2-propen-1-yl ester
  • Acetic acid, cyano-, 2-propenyl ester
  • Acetic acid, cyano-, allyl ester
  • Allyl cyanoacetate

Superlist Name

  • Allyl cyanoacetate

Registry Numbers

CAS Registry Number

  • 13361-32-5

System Generated Number

  • 0013361325

Structure Descriptors

InChI

1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2

InChIKey

WXKCRCGKCOKJEF-UHFFFAOYSA-N

Smiles

C(OCC=C)(CC#N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 160mg/kg (160mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 13FEB1981,