methyl 4-(3-nitro-6-oxopiperidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-nitro-6-oxopiperidin-2-yl)benzoate
methyl 4-(3-nitro-6-oxopiperidin-2-yl)benzoate
Compound characteristics
| Compound ID: | Y503-4669 |
| Compound Name: | methyl 4-(3-nitro-6-oxopiperidin-2-yl)benzoate |
| Molecular Weight: | 278.26 |
| Molecular Formula: | C13 H14 N2 O5 |
| Smiles: | COC(c1ccc(cc1)C1C(CCC(N1)=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1025 |
| logD: | 0.1734 |
| logSw: | -2.0849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.433 |
| InChI Key: | UVXBSXLPWBAFPP-UHFFFAOYSA-N |