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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>5</sub>H<sub>7</sub>NaO<sub>2</sub>

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₅H₇NaO₂
Molecular Weight	122.10 g/mol
Exact Mass	122.0344 Da
InChI	InChI=1S/C5H8O2.Na/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3-;
InChIKey	AIWZOHBYSFSQGV-LNKPDPKZSA-M
SMILES	C/C(=C/C(=O)C)/O[Na]
Number of Atoms	15
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	5
XLogP	0.7

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