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A resorcin[4]arene hexameric capsule as a supramolecular catalyst in elimination and isomerization reactions

Tommaso Lorenzetto, Fabrizio Fabris and Alessandro Scarso

Beilstein J. Org. Chem. 2022, 18, 337–349. https://doi.org/10.3762/bjoc.18.38

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Chemical structure C<sub>12</sub>H<sub>18</sub>O<sub>2</sub>

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₈O₂
Molecular Weight	194.27 g/mol
Exact Mass	194.1307 Da
InChI	InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
InChIKey	WFJIVOKAWHGMBH-UHFFFAOYSA-N
SMILES	CCCCCCC1=CC=C(C=C1O)O
Number of Atoms	32
Number of H-Bond Acceptors	2
Number of H-Bond Donors	2
Atoms in the Largest π-System	8
XLogP	3.6

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