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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>12</sub>O

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Extracted from

Scheme 26

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₆H₁₂O
Molecular Weight	100.16 g/mol
Exact Mass	100.0888 Da
InChI	InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
InChIKey	UZKWTJUDCOPSNM-UHFFFAOYSA-N
SMILES	CCCCOC=C
Number of Atoms	19
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	3
XLogP	2.2

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