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 |