(+)-3-Phenylbutyric acid

CAS Registry Number®

772-15-6

CAS Name

(+)-3-Phenylbutyric acid

Molecular Formula

C10H12O2

Molecular Mass

164.20

Cite this Page

(+)-3-Phenylbutyric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=772-15-6 (retrieved 2024-11-22) (CAS RN: 772-15-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    113-115 °C @ Press: 3 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1

InChIKey

InChIKey=ZZEWMYILWXCRHZ-QMMMGPOBSA-N

SMILES

[C@@H](CC(O)=O)(C)C1=CC=CC=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, β-methyl-, (βS)-
  • Hydrocinnamic acid, β-methyl-, (S)-
  • Benzenepropanoic acid, β-methyl-, (S)-
  • (βS)-β-Methylbenzenepropanoic acid
  • (S)-(+)-β-Methylhydrocinnamic acid

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