Formula |
C9H9N3O3 |
IUPAC Name |
methyl 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylate |
Molecular Mass |
207.186 g·mol−1 |
Heat of Formation |
-85.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.50 ± 1.08 D |
Volume |
235.31 Å 3 |
Surface Area |
225.52 Å 2 |
HOMO Energy |
-9.68 ± 0.55 eV |
LUMO Energy |
2.36 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-(5-isoxazolyl)-5-methyl-1h-pyrazole-4-carboxylic acid methyl ester
- 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylic acid methyl ester
- methyl 3-methyl-5-(1,2-oxazol-5-yl)-2h-pyrazole-4-carboxylate
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InChIKey |
ATKIWUMRVKGZOO-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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