3-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,3-benzoxazol-2(3H)-one
3-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 8013-0544 |
| Compound Name: | 3-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C13 H11 N O5 |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(=O)Oc2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6333 |
| logD: | 0.6333 |
| logSw: | -1.3877 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.612 |
| InChI Key: | SDNPWXVGSFCVMZ-UHFFFAOYSA-N |