3,3,5-trimethyl-6-(4-nitrophenyl)oxane-2,4-dione
Chemical Structure Depiction of
3,3,5-trimethyl-6-(4-nitrophenyl)oxane-2,4-dione
3,3,5-trimethyl-6-(4-nitrophenyl)oxane-2,4-dione
Compound characteristics
| Compound ID: | 4107-0177 |
| Compound Name: | 3,3,5-trimethyl-6-(4-nitrophenyl)oxane-2,4-dione |
| Molecular Weight: | 277.27 |
| Molecular Formula: | C14 H15 N O5 |
| Smiles: | CC1C(c2ccc(cc2)[N+]([O-])=O)OC(C(C)(C)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.488 |
| logD: | 2.488 |
| logSw: | -2.6574 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.206 |
| InChI Key: | LBIIJNHUKQSKIJ-UHFFFAOYSA-N |