3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyloxane-2,4-dione
Chemical Structure Depiction of
3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyloxane-2,4-dione
3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyloxane-2,4-dione
Compound characteristics
| Compound ID: | 4605-0217 |
| Compound Name: | 3,5,5-trimethyl-3-[(4-nitrophenyl)methyl]-6-phenyloxane-2,4-dione |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C21 H21 N O5 |
| Smiles: | CC1(C)C(c2ccccc2)OC(C(C)(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8016 |
| logD: | 4.8016 |
| logSw: | -4.6505 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.935 |
| InChI Key: | GMFJDUUARUYJBW-UHFFFAOYSA-N |