3-Nitro-β-oxobenzenepropanenitrile

CAS Registry Number®

21667-64-1

CAS Name

3-Nitro-β-oxobenzenepropanenitrile

Molecular Formula

C9H6N2O3

Molecular Mass

190.16

Cite this Page

3-Nitro-β-oxobenzenepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21667-64-1 (retrieved 2024-11-22) (CAS RN: 21667-64-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    152.0-153.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6N2O3/c10-5-4-9(12)7-2-1-3-8(6-7)11(13)14/h1-3,6H,4H2

InChIKey

InChIKey=OTZUXMACTFIJAZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanenitrile, 3-nitro-β-oxo-
  • Acetonitrile, (m-nitrobenzoyl)-
  • 3-Nitro-β-oxobenzenepropanenitrile
  • m-Nitrophenacyl cyanide
  • 3-Nitrophenacyl cyanide

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration