5-(3,4,5-Trimethoxyphenyl)-2H-tetrazole-2-acetic acid

CAS Registry Number®

91759-62-5
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CAS Name

5-(3,4,5-Trimethoxyphenyl)-2H-tetrazole-2-acetic acid

Molecular Formula

C12H14N4O5

Molecular Mass

294.26

Cite this Page

5-(3,4,5-Trimethoxyphenyl)-2H-tetrazole-2-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91759-62-5 (retrieved 2024-09-08) (CAS RN: 91759-62-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    192-193 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H14N4O5/c1-19-8-4-7(5-9(20-2)11(8)21-3)12-13-15-16(14-12)6-10(17)18/h4-5H,6H2,1-3H3,(H,17,18)

InChIKey

InChIKey=WGHINWVEQFYYOY-UHFFFAOYSA-N

SMILES

O(C)C=1C=C(C=C(OC)C1OC)C2=NN(CC(O)=O)N=N2

Canonical SMILES

O=C(O)CN1N=NC(=N1)C2=CC(OC)=C(OC)C(OC)=C2

Other Names for this Substance

  • 2H-Tetrazole-2-acetic acid, 5-(3,4,5-trimethoxyphenyl)-
  • 5-(3,4,5-Trimethoxyphenyl)-2H-tetrazole-2-acetic acid
  • [5-(3,4,5-Trimethoxy-phenyl)-tetrazol-2-yl]-acetic acid
  • 2-[5-(3,4,5-Trimethoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid