Ethyl α,β-dicyanobenzenepropanoate

CAS Registry Number®

5473-13-2

CAS Name

Ethyl α,β-dicyanobenzenepropanoate

Molecular Formula

C13H12N2O2

Molecular Mass

228.25

Cite this Page

Ethyl α,β-dicyanobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5473-13-2 (retrieved 2024-11-25) (CAS RN: 5473-13-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    63-65 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H12N2O2/c1-2-17-13(16)12(9-15)11(8-14)10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3

InChIKey

InChIKey=AJIQVNWYQUEXKT-UHFFFAOYSA-N

SMILES

C(C(C(OCC)=O)C#N)(C#N)C1=CC=CC=C1

Canonical SMILES

N#CC(C(=O)OCC)C(C#N)C=1C=CC=CC1

Other Names for this Substance

  • Benzenepropanoic acid, α,β-dicyano-, ethyl ester
  • Hydrocinnamic acid, α,β-dicyano-, ethyl ester
  • Ethyl α,β-dicyanobenzenepropanoate
  • NSC 29656

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