α,α-Dimethyl-γ-oxo-1,3-benzodioxole-5-butanoic acid

CAS Registry Number®

951894-07-8
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CAS Name

α,α-Dimethyl-γ-oxo-1,3-benzodioxole-5-butanoic acid

Molecular Formula

C13H14O5

Molecular Mass

250.25

Cite this Page

α,α-Dimethyl-γ-oxo-1,3-benzodioxole-5-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=951894-07-8 (retrieved 2024-09-06) (CAS RN: 951894-07-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178.2-179.3 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H14O5/c1-13(2,12(15)16)6-9(14)8-3-4-10-11(5-8)18-7-17-10/h3-5H,6-7H2,1-2H3,(H,15,16)

InChIKey

InChIKey=GZYYGDDNGZXXOK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Benzodioxole-5-butanoic acid, α,α-dimethyl-γ-oxo-
  • α,α-Dimethyl-γ-oxo-1,3-benzodioxole-5-butanoic acid