β-Oxo-1,3-benzodioxole-5-propanenitrile

CAS Registry Number®

96220-14-3

CAS Name

β-Oxo-1,3-benzodioxole-5-propanenitrile

Molecular Formula

C10H7NO3

Molecular Mass

189.17

Cite this Page

β-Oxo-1,3-benzodioxole-5-propanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96220-14-3 (retrieved 2024-11-25) (CAS RN: 96220-14-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133-135 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H7NO3/c11-4-3-8(12)7-1-2-9-10(5-7)14-6-13-9/h1-2,5H,3,6H2

InChIKey

InChIKey=WSZFLWZOMWQGPD-UHFFFAOYSA-N

SMILES

C(CC#N)(=O)C=1C=C2C(=CC1)OCO2

Canonical SMILES

N#CCC(=O)C1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole-5-propanenitrile, β-oxo-
  • Acetonitrile, piperonyloyl-
  • β-Oxo-1,3-benzodioxole-5-propanenitrile
  • 3-Benzo[1,3]dioxol-5-yl-3-oxopropionitrile
  • 3-(Benzo[d][1,3]dioxol-5-yl)-3-oxopropanenitrile

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