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Friedel–Crafts acylation of benzene derivatives in tunable aryl alkyl ionic liquids (TAAILs)

Swantje Lerch, Stefan Fritsch and Thomas Strassner

Beilstein J. Org. Chem. 2023, 19, 212–216. https://doi.org/10.3762/bjoc.19.20

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Chemical structure C<sub>4</sub>H<sub>6</sub>O<sub>3</sub>

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Extracted from

Scheme 2 Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₄H₆O₃
Molecular Weight	102.09 g/mol
Exact Mass	102.0317 Da
InChI	InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
InChIKey	WFDIJRYMOXRFFG-UHFFFAOYSA-N
SMILES	CC(=O)OC(=O)C
Number of Atoms	13
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	5
XLogP	0.7

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