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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>7</sub>H<sub>12</sub>O<sub>2</sub>

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Extracted from

Scheme 48

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₁₂O₂
Molecular Weight	128.17 g/mol
Exact Mass	128.0837 Da
InChI	InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
InChIKey	RGUXEWWHSQGVRZ-UHFFFAOYSA-N
SMILES	C#CC(OCC)OCC
Number of Atoms	21
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	2
XLogP	1.2

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