2-(4-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Chemical Structure Depiction of
2-(4-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
2-(4-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Compound characteristics
| Compound ID: | 3257-0488 |
| Compound Name: | 2-(4-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate |
| Molecular Weight: | 331.28 |
| Molecular Formula: | C16 H13 N O7 |
| Smiles: | CC1=CC(=O)OC(C)=C1C(=O)OCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0268 |
| logD: | 2.0268 |
| logSw: | -2.4098 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.531 |
| InChI Key: | NOPLOBLCLLHGSL-UHFFFAOYSA-N |