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 | C7H6O |
| Molecular Weight | 106.12 g/mol |
| Exact Mass | 106.0419 Da |
| InChI |
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
|
| InChIKey |
HUMNYLRZRPPJDN-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C([H])=O
|
| Number of Atoms | 14 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 8 |
| XLogP | 1.1 |