4,5-Dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid

CAS Registry Number®

67939-25-7
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CAS Name

4,5-Dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid

Molecular Formula

C11H10N2O6S

Molecular Mass

298.27

Cite this Page

4,5-Dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67939-25-7 (retrieved 2024-06-16) (CAS RN: 67939-25-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H10N2O6S/c1-6-4-7(20(17,18)19)2-3-9(6)13-10(14)5-8(12-13)11(15)16/h2-4H,5H2,1H3,(H,15,16)(H,17,18,19)

InChIKey

InChIKey=WPBFQWYLRKBVCE-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C(O)=O)C1)C2=C(C)C=C(S(=O)(=O)O)C=C2

Canonical SMILES

O=C(O)C1=NN(C(=O)C1)C2=CC=C(C=C2C)S(=O)(=O)O

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-
  • 2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(4-sulfo-o-tolyl)-
  • 4,5-Dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid
  • 3-Carboxy-1-(2-methyl-4-sulfophenyl)-5-pyrazolone
  • 1-(2-Methyl-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid

CAS INSIGHTSTM
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