Orpanoxin

CAS Registry Number®

60653-25-0

CAS Name

Orpanoxin

Molecular Formula

C13H11ClO4

Molecular Mass

266.68

Cite this Page

Orpanoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60653-25-0 (retrieved 2024-11-22) (CAS RN: 60653-25-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H11ClO4/c14-9-3-1-8(2-4-9)11-5-6-12(18-11)10(15)7-13(16)17/h1-6,10,15H,7H2,(H,16,17)

InChIKey

InChIKey=YLJRTDTWWRXOFG-UHFFFAOYSA-N

SMILES

C(CC(O)=O)(O)C=1OC(=CC1)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(O)CC(O)C=1OC(=CC1)C=2C=CC(Cl)=CC2

Other Names for this Substance

  • 2-Furanpropanoic acid, 5-(4-chlorophenyl)-β-hydroxy-
  • 5-(4-Chlorophenyl)-β-hydroxy-2-furanpropanoic acid
  • Orpanoxin
  • F 776

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