6-oxo-6H-dibenzo[b,d]pyran-3-yl 3,5-dinitrobenzoate
Chemical Structure Depiction of
6-oxo-6H-dibenzo[b,d]pyran-3-yl 3,5-dinitrobenzoate
6-oxo-6H-dibenzo[b,d]pyran-3-yl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 1682-7785 |
| Compound Name: | 6-oxo-6H-dibenzo[b,d]pyran-3-yl 3,5-dinitrobenzoate |
| Molecular Weight: | 406.31 |
| Molecular Formula: | C20 H10 N2 O8 |
| Smiles: | c1ccc2c(c1)C(=O)Oc1cc(ccc12)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2882 |
| logD: | 3.2882 |
| logSw: | -4.3842 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.029 |
| InChI Key: | LQUFZSDMIZVXCY-UHFFFAOYSA-N |