Domino reactions of chromones with activated carbonyl compounds
Peter Langer
Beilstein J. Org. Chem. 2024, 20, 1256–1269.
https://doi.org/10.3762/bjoc.20.108
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C16H15BrO7 |
| Molecular Weight | 399.19 g/mol |
| Exact Mass | 398.0001 Da |
| InChI |
InChI=1S/C16H15BrO7/c1-22-11(19)7-9(18)12(16(21)23-2)15-13(17)14(20)8-5-3-4-6-10(8)24-15/h3-6,12-13,15H,7H2,1-2H3
|
| InChIKey |
VMBFRSWDFYCQDK-UHFFFAOYSA-N
|
| SMILES |
COC(=O)CC(=O)C(C1C(C(=O)C2=C(C=CC=C2)O1)Br)C(=O)OC
|
| Number of Atoms | 39 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 9 |
| XLogP | 1.3 |
