Methyl α-cyano-α-ethylbenzeneacetate

CAS Registry Number®

24131-07-5
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CAS Name

Methyl α-cyano-α-ethylbenzeneacetate

Molecular Formula

C12H13NO2

Molecular Mass

203.24

Cite this Page

Methyl α-cyano-α-ethylbenzeneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24131-07-5 (retrieved 2024-08-13) (CAS RN: 24131-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    180-192 °C @ Press: 17 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO2/c1-3-12(9-13,11(14)15-2)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3

InChIKey

InChIKey=QCQKFMJKGAXAMV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-cyano-α-ethyl-, methyl ester
  • Butyric acid, 2-cyano-2-phenyl-, methyl ester
  • Methyl α-cyano-α-ethylbenzeneacetate
  • 2-Cyano-2-phenylbutanoic acid methyl ester

Deleted or Replaced CAS Registry Numbers

90827-54-6