3-Acetyl-1H-pyrazole-5-carboxylic acid

CAS Registry Number®

1297537-45-1
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CAS Name

3-Acetyl-1H-pyrazole-5-carboxylic acid

Molecular Formula

C6H6N2O3

Molecular Mass

154.12

Cite this Page

3-Acetyl-1H-pyrazole-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=949034-45-1 (retrieved 2024-04-28) (CAS RN: 1297537-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    257-269 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H6N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2H,1H3,(H,7,8)(H,10,11)

InChIKey

InChIKey=HFBWRCZRDIVAMQ-UHFFFAOYSA-N

SMILES

C(C)(=O)C1=CC(C(O)=O)=NN1

Canonical SMILES

O=C(O)C1=NNC(=C1)C(=O)C

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 5-acetyl-
  • 5-Acetyl-1H-pyrazole-3-carboxylic acid
  • 3-Acetyl-1H-pyrazole-5-carboxylic acid

Deleted or Replaced CAS Registry Numbers

949034-45-1

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