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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>13</sub>H<sub>16</sub>O<sub>2</sub>

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Extracted from

Scheme 26

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₃H₁₆O₂
Molecular Weight	204.27 g/mol
Exact Mass	204.1150 Da
InChI	InChI=1S/C13H16O2/c1-2-3-10-15-11-9-13(14)12-7-5-4-6-8-12/h4-9,11H,2-3,10H2,1H3/b11-9+
InChIKey	WEQLASJDQUKUPB-PKNBQFBNSA-N
SMILES	CCCCO/C=C/C(=O)C1=CC=CC=C1
Number of Atoms	31
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	2.8

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