Formula |
C8H10N2O3 |
IUPAC Name |
(1-acetyl-5-methyl-pyrazol-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
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Synonyms
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- (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
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CAS Number(s) |
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InChIKey |
MZBDLEUTLWAKHE-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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