5-Acetyl-1,3-benzodioxole

CAS Registry Number®

3162-29-6

CAS Name

5-Acetyl-1,3-benzodioxole

Molecular Formula

C9H8O3

Molecular Mass

164.16

Cite this Page

5-Acetyl-1,3-benzodioxole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3162-29-6 (retrieved 2024-11-22) (CAS RN: 3162-29-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    138-140 °C

  • Melting Point (2)

    85-86 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3

InChIKey

InChIKey=BMHMKWXYXFBWMI-UHFFFAOYSA-N

SMILES

C(C)(=O)C=1C=C2C(=CC1)OCO2

Canonical SMILES

O=C(C1=CC=C2OCOC2=C1)C

Other Names for this Substance

  • Ethanone, 1-(1,3-benzodioxol-5-yl)-
  • Acetophenone, 3′,4′-(methylenedioxy)-
  • Acetophenone, 3,4-methylenedioxy-
  • 1-(1,3-Benzodioxol-5-yl)ethanone
  • Acetopiperone

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration