Benzeneacetic acid, α-cyano-, ethyl ester

CAS Registry Number®

4553-07-5

CAS Name

Benzeneacetic acid, α-cyano-, ethyl ester

Molecular Formula

C11H11NO2

Molecular Mass

189.21

Cite this Page

Benzeneacetic acid, α-cyano-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4553-07-5 (retrieved 2024-11-24) (CAS RN: 4553-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    163-165 °C @ Press: 10 Torr

  • Melting Point (2)

    115-116 °C

  • Density (1)

    1.085 g/cm³ @ Temp: 17 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3

InChIKey

InChIKey=SXIRJEDGTAKGKU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-cyano-, ethyl ester
  • Acetic acid, cyanophenyl-, ethyl ester
  • Ethyl α-cyanophenylacetate
  • Phenylcyanoacetic acid ethyl ester
  • Ethyl cyanophenylacetate

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Deleted or Replaced CAS Registry Numbers

64077-28-7

CAS INSIGHTSTM
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