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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>10</sub>H<sub>6</sub>O<sub>3</sub>

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Extracted from

Scheme 71

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₆O₃
Molecular Weight	174.15 g/mol
Exact Mass	174.0317 Da
InChI	InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
InChIKey	FSMYWBQIMDSGQP-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)OC=C(C([H])=O)C2=O
Number of Atoms	19
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	13
XLogP	0.5

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