Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps
Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller
Beilstein J. Org. Chem. 2024, 20, 2024–2077.
https://doi.org/10.3762/bjoc.20.178
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C3H6O2 |
| Molecular Weight | 74.08 g/mol |
| Exact Mass | 74.0368 Da |
| InChI |
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
|
| InChIKey |
WBJINCZRORDGAQ-UHFFFAOYSA-N
|
| SMILES |
CCOC([H])=O
|
| Number of Atoms | 11 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 0.4 |