5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid

CAS Registry Number®

924861-80-3
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CAS Name

5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid

Molecular Formula

C12H12N4O4

Molecular Mass

276.25

Cite this Page

5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=924861-80-3 (retrieved 2024-09-06) (CAS RN: 924861-80-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12N4O4/c17-11(18)2-1-5-16-14-12(13-15-16)8-3-4-9-10(6-8)20-7-19-9/h3-4,6H,1-2,5,7H2,(H,17,18)

InChIKey

InChIKey=MTMHIKNJKWOOTB-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)N1N=C(C=2C=C3C(=CC2)OCO3)N=N1

Canonical SMILES

O=C(O)CCCN1N=NC(=N1)C2=CC=C3OCOC3=C2

Other Names for this Substance

  • 2H-Tetrazole-2-butanoic acid, 5-(1,3-benzodioxol-5-yl)-
  • 5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid