Ethyl β-cyano-α-oxobenzenepropanoate

CAS Registry Number®

6362-63-6
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CAS Name

Ethyl β-cyano-α-oxobenzenepropanoate

Molecular Formula

C12H11NO3

Molecular Mass

217.22

Cite this Page

Ethyl β-cyano-α-oxobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6362-63-6 (retrieved 2024-04-28) (CAS RN: 6362-63-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129-130 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H11NO3/c1-2-16-12(15)11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3

InChIKey

InChIKey=YWNRATDDUSMBPR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, β-cyano-α-oxo-, ethyl ester
  • Pyruvic acid, cyanophenyl-, ethyl ester
  • Ethyl β-cyano-α-oxobenzenepropanoate
  • Ethyl 3-cyano-3-phenylpyruvate
  • Ethyl phenylcyanopyruvate

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