4-(4H-1,2,4-Triazol-4-yl)benzenepropanoic acid

CAS Registry Number®

924861-83-6
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CAS Name

4-(4H-1,2,4-Triazol-4-yl)benzenepropanoic acid

Molecular Formula

C11H11N3O2

Molecular Mass

217.22

Cite this Page

4-(4H-1,2,4-Triazol-4-yl)benzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=924861-83-6 (retrieved 2024-08-30) (CAS RN: 924861-83-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H11N3O2/c15-11(16)6-3-9-1-4-10(5-2-9)14-7-12-13-8-14/h1-2,4-5,7-8H,3,6H2,(H,15,16)

InChIKey

InChIKey=OYKWSABIJJQOFT-UHFFFAOYSA-N

SMILES

C(CC(O)=O)C1=CC=C(C=C1)N2C=NN=C2

Canonical SMILES

O=C(O)CCC1=CC=C(C=C1)N2C=NN=C2

Other Names for this Substance

  • Benzenepropanoic acid, 4-(4H-1,2,4-triazol-4-yl)-
  • 4-(4H-1,2,4-Triazol-4-yl)benzenepropanoic acid