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CAS 865233-35-8

:

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

Description:
(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid, identified by its CAS number 865233-35-8, is a chemical compound that features a unique structure characterized by a propynyl group attached to a benzene ring, along with a hydroxyl group and a propanoic acid moiety. This compound is likely to exhibit properties typical of phenolic compounds, including potential antioxidant activity due to the presence of the hydroxyl group. Its structural configuration suggests it may participate in various chemical reactions, such as esterification or nucleophilic substitutions, owing to the reactive functional groups. The stereochemistry indicated by the (βS) designation suggests specific spatial arrangements that could influence its biological activity and interactions with other molecules. Additionally, the presence of both hydrophobic (benzene ring) and hydrophilic (carboxylic acid) components may affect its solubility and reactivity in different environments, making it of interest in fields such as pharmaceuticals or agrochemicals. Further studies would be necessary to fully elucidate its properties and potential applications.
Formula:C12H12O3
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
InChI key:InChIKey=QFYGPUAIMQUIOO-JTQLQIEISA-N
SMILES:[C@@H](CC(O)=O)(C#CC)C1=CC=C(O)C=C1
Synonyms:
  • (βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid
  • Benzenepropanoic acid, 4-hydroxy-β-1-propynyl-, (βS)-
  • (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid
  • (S)-3-(4-Hydroxyphenyl)hex-4-ynoic acid
  • Benzenepropanoic acid, 4-hydroxy-β-1-propyn-1-yl-, (βS)-
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