Heterocycle-guided synthesis of m-hetarylanilines via three-component benzannulation
Andrey R. Galeev, Maksim V. Dmitriev, Alexander S. Novikov and Andrey N. Maslivets
Beilstein J. Org. Chem. 2024, 20, 2208–2216.
https://doi.org/10.3762/bjoc.20.188
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C3H6O |
| Molecular Weight | 58.08 g/mol |
| Exact Mass | 58.0419 Da |
| InChI |
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
|
| InChIKey |
CSCPPACGZOOCGX-UHFFFAOYSA-N
|
| SMILES |
CC(=O)C
|
| Number of Atoms | 10 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 1 |
| XLogP | 0.2 |