2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Compound characteristics
| Compound ID: | 4695-1829 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate |
| Molecular Weight: | 345.31 |
| Molecular Formula: | C17 H15 N O7 |
| Smiles: | CC1=CC(=O)OC(C)=C1C(=O)OCC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6844 |
| logD: | 2.6844 |
| logSw: | -2.9364 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.23 |
| InChI Key: | UBADWQUUVXVQHN-UHFFFAOYSA-N |