Strategies to access the [5-8] bicyclic core encountered in the sesquiterpene, diterpene and sesterterpene series
Cécile Alleman, Charlène Gadais, Laurent Legentil and François-Hugues Porée
Beilstein J. Org. Chem. 2023, 19, 245–281.
https://doi.org/10.3762/bjoc.19.23
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.13 g/mol |
| Exact Mass | 128.0473 Da |
| InChI |
InChI=1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+
|
| InChIKey |
GLVNZYODMKSEPS-ONEGZZNKSA-N
|
| SMILES |
CC(=O)/C=C/C(=O)OC
|
| Number of Atoms | 17 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 7 |
| XLogP | 0.2 |