5-(4-Cyanophenyl)-3-isoxazolecarboxylic acid

CAS Registry Number®

1375064-45-1
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CAS Name

5-(4-Cyanophenyl)-3-isoxazolecarboxylic acid

Molecular Formula

C11H6N2O3

Molecular Mass

214.18

Cite this Page

5-(4-Cyanophenyl)-3-isoxazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1375064-45-1 (retrieved 2024-08-30) (CAS RN: 1375064-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H6N2O3/c12-6-7-1-3-8(4-2-7)10-5-9(11(14)15)13-16-10/h1-5H,(H,14,15)

InChIKey

InChIKey=PDHRXDLHPHLFEX-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(ON1)C2=CC=C(C#N)C=C2

Canonical SMILES

N#CC=1C=CC(=CC1)C=2ON=C(C2)C(=O)O

Other Names for this Substance

  • 3-Isoxazolecarboxylic acid, 5-(4-cyanophenyl)-
  • 5-(4-Cyanophenyl)-3-isoxazolecarboxylic acid
  • 5-(4-Cyanophenyl)isoxazole-3-carboxylic acid