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

Chemical Information

Calculated using the Chemistry Development Kit 2.12
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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