2-(4-Isobutyrylphenyl)propionic acid

CAS Registry Number®

65813-55-0

CAS Name

2-(4-Isobutyrylphenyl)propionic acid

Molecular Formula

C13H16O3

Molecular Mass

220.26

Cite this Page

2-(4-Isobutyrylphenyl)propionic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65813-55-0 (retrieved 2024-11-24) (CAS RN: 65813-55-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82-84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16)

InChIKey

InChIKey=RCINGEKPKJQCMO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-methyl-4-(2-methyl-1-oxopropyl)-
  • α-Methyl-4-(2-methyl-1-oxopropyl)benzeneacetic acid
  • 2-(4-Isobutyrylphenyl)propionic acid
  • (2Rs)-2-(4-isobutyrylphenyl)propanoic acid
  • 2-(4-Isobutyrylphenyl)propanoic acid

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