(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid

CAS Registry Number®

865233-35-8
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CAS Name

(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid

Molecular Formula

C12H12O3

Molecular Mass

204.22

Cite this Page

(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=865233-35-8 (retrieved 2024-07-06) (CAS RN: 865233-35-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12O3/c1-2-3-10(8-12(14)15)9-4-6-11(13)7-5-9/h4-7,10,13H,8H2,1H3,(H,14,15)/t10-/m0/s1

InChIKey

InChIKey=QFYGPUAIMQUIOO-JTQLQIEISA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, 4-hydroxy-β-1-propyn-1-yl-, (βS)-
  • Benzenepropanoic acid, 4-hydroxy-β-1-propynyl-, (βS)-
  • (βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid
  • (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid
  • (S)-3-(4-Hydroxyphenyl)hex-4-ynoic acid