2-[5-(2-methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[5-(2-methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[5-(2-methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-1762 |
| Compound Name: | 2-[5-(2-methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 286.29 |
| Molecular Formula: | C14 H14 N4 O3 |
| Smiles: | Cc1ccccc1c1nnnn1C1CC(C2OCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8159 |
| logD: | 0.8159 |
| logSw: | -1.936 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.464 |
| InChI Key: | LEMGOYJNKDIXDH-UHFFFAOYSA-N |