1,3-Benzodioxole-5-pentanoic acid

CAS Registry Number®

41917-45-7

CAS Name

1,3-Benzodioxole-5-pentanoic acid

Molecular Formula

C12H14O4

Molecular Mass

222.24

Cite this Page

1,3-Benzodioxole-5-pentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41917-45-7 (retrieved 2024-11-22) (CAS RN: 41917-45-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)

InChIKey

InChIKey=VSLFLWQBWGEPBW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCCCC1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole-5-pentanoic acid
  • Butyric acid, γ-piperonyl-
  • Piperic acid, tetrahydro-
  • Tetrahydropiperic acid
  • β,γ-Hydropiperic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration