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 C9H10O2
Molecular Weight 150.17 g/mol
Exact Mass 150.0681 Da
InChI
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChIKey
NTPLXRHDUXRPNE-UHFFFAOYSA-N
SMILES
CC(=O)C1=CC=C(C=C1)OC
Number of Atoms 21
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 9
XLogP 0.9
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