methyl 1-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1H-pyrazole-3-carboxylate
methyl 1-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8013-5843 |
| Compound Name: | methyl 1-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 252.22 |
| Molecular Formula: | C11 H12 N2 O5 |
| Smiles: | COC(c1ccn(C2CC(C3OCC2O3)=O)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.6062 |
| logD: | -0.6062 |
| logSw: | -1.1305 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.81 |
| InChI Key: | BCACUFSEGLKOPA-UHFFFAOYSA-N |