5-[4-(1,1-Dimethylethyl)phenyl]-1H-1,2,4-triazole-3-acetic acid

CAS Registry Number®

194419-32-4

CAS Name

5-[4-(1,1-Dimethylethyl)phenyl]-1H-1,2,4-triazole-3-acetic acid

Molecular Formula

C14H17N3O2

Molecular Mass

259.30

Cite this Page

5-[4-(1,1-Dimethylethyl)phenyl]-1H-1,2,4-triazole-3-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=194419-32-4 (retrieved 2024-12-04) (CAS RN: 194419-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H17N3O2/c1-14(2,3)10-6-4-9(5-7-10)13-15-11(16-17-13)8-12(18)19/h4-7H,8H2,1-3H3,(H,18,19)(H,15,16,17)

InChIKey

InChIKey=OGPYPOYISFEBSP-UHFFFAOYSA-N

SMILES

C(C(O)=O)C=1NC(=NN1)C2=CC=C(C(C)(C)C)C=C2

Canonical SMILES

O=C(O)CC1=NN=C(N1)C=2C=CC(=CC2)C(C)(C)C

Other Names for this Substance

  • 1H-1,2,4-Triazole-3-acetic acid, 5-[4-(1,1-dimethylethyl)phenyl]-
  • 5-[4-(1,1-Dimethylethyl)phenyl]-1H-1,2,4-triazole-3-acetic acid
  • 2-(3-(4-(tert-Butyl)phenyl)-1H-1,2,4-triazol-5-yl)acetic acid

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