1-Acetyl-5-Methyl-1H-Pyrazol-3-Yl Acetate

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Properties Simple | Detailed

Formula C8H10N2O3
IUPAC Name (1-acetyl-5-methyl-pyrazol-1-ium-2-id-3-yl) acetate
Molecular Mass 182.177 g·mol−1
Heat of Formation -376.8 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 210.73 Å 3
Surface Area 211.25 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • (1-acetyl-5-methyl-pyrazol-3-yl) acetate
  • (1-acetyl-5-methylpyrazol-3-yl) acetate
  • (1-ethanoyl-5-methyl-pyrazol-3-yl) ethanoate
  • 1h-pyrazol-3-ol, 1-acetyl-5-methyl-, acetate (ester)
  • 3-acetoxy-1-acetyl-5-methylpyrazole
  • acetic acid (1-acetyl-5-methyl-3-pyrazolyl) ester
  • acetic acid (1-acetyl-5-methyl-pyrazol-3-yl) ester
CAS Number(s)
  • 38004-22-7
InChIKey MZBDLEUTLWAKHE-UHFFFAOYSA-N
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