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Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller

Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

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Chemical structure C<sub>6</sub>H<sub>10</sub>O<sub>3</sub>

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Extracted from

Scheme 2 Scheme 20

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₆H₁₀O₃
Molecular Weight	130.14 g/mol
Exact Mass	130.0630 Da
InChI	InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChIKey	XYIBRDXRRQCHLP-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(=O)C
Number of Atoms	19
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	3
XLogP	0.7

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