3,5-Dimethylbenzenepropanoic acid

CAS Registry Number®

42287-87-6

CAS Name

3,5-Dimethylbenzenepropanoic acid

Molecular Formula

C11H14O2

Molecular Mass

178.23

Cite this Page

3,5-Dimethylbenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42287-87-6 (retrieved 2024-11-22) (CAS RN: 42287-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    168-178 °C @ Press: 13 Torr

  • Melting Point (1)

    45-46.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O2/c1-8-5-9(2)7-10(6-8)3-4-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)

InChIKey

InChIKey=CCPNDKXTGJGIIV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC=1C=C(C=C(C1)C)C

Other Names for this Substance

  • Benzenepropanoic acid, 3,5-dimethyl-
  • 3,5-Dimethylbenzenepropanoic acid
  • 3-(3,5-Xylyl)propionic acid
  • 3-(3,5-Dimethylphenyl)propionic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration