Phenyl 2-cyanoacetate

CAS Registry Number®

6131-48-2

CAS Name

Phenyl 2-cyanoacetate

Molecular Formula

C9H7NO2

Molecular Mass

161.16

Cite this Page

Phenyl 2-cyanoacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6131-48-2 (retrieved 2024-11-22) (CAS RN: 6131-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    162 °C @ Press: 12 Torr

  • Melting Point (1)

    41 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5H,6H2

InChIKey

InChIKey=SEHASSDIPXUUSI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Acetic acid, 2-cyano-, phenyl ester
  • Acetic acid, cyano-, phenyl ester
  • Phenyl 2-cyanoacetate
  • Phenyl cyanoacetate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration