dimethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
dimethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0009 |
| Compound Name: | dimethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 365.34 |
| Molecular Formula: | C17 H19 N O8 |
| Smiles: | CC1(CC(C(C(C1C(=O)OC)c1ccc(cc1)[N+]([O-])=O)C(=O)OC)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.44 |
| logD: | 1.3716 |
| logSw: | -1.8841 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.461 |
| InChI Key: | WGWCVBPRRCTFRR-UHFFFAOYSA-N |