Methyl (βS)-4-hydroxy-β-1-propyn-1-ylbenzenepropanoate

CAS Registry Number®

865233-36-9
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CAS Name

Methyl (βS)-4-hydroxy-β-1-propyn-1-ylbenzenepropanoate

Molecular Formula

C13H14O3

Molecular Mass

218.25

Cite this Page

Methyl (βS)-4-hydroxy-β-1-propyn-1-ylbenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=865233-36-9 (retrieved 2024-09-07) (CAS RN: 865233-36-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14O3/c1-3-4-11(9-13(15)16-2)10-5-7-12(14)8-6-10/h5-8,11,14H,9H2,1-2H3/t11-/m0/s1

InChIKey

InChIKey=BENPHURJTUUUSX-NSHDSACASA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, 4-hydroxy-β-1-propyn-1-yl-, methyl ester, (βS)-
  • Benzenepropanoic acid, 4-hydroxy-β-1-propynyl-, methyl ester, (βS)-
  • Methyl (βS)-4-hydroxy-β-1-propyn-1-ylbenzenepropanoate
  • (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid methyl ester
  • (S)-Methyl 3-(4-hydroxyphenyl)hex-4-ynoate