β-Methylbenzenebutanoic acid

CAS Registry Number®

7315-68-6

CAS Name

β-Methylbenzenebutanoic acid

Molecular Formula

C11H14O2

Molecular Mass

178.23

Cite this Page

β-Methylbenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7315-68-6 (retrieved 2024-11-22) (CAS RN: 7315-68-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    172 °C @ Press: 13 Torr

  • Melting Point (2)

    16.9 °C

  • Density (3)

    1.040 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O2/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)

InChIKey

InChIKey=CJBVVZBGGFKPDA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, β-methyl-
  • Butyric acid, 3-methyl-4-phenyl-
  • β-Methylbenzenebutanoic acid
  • β-Benzyl-β-methylpropionic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration