1-oxo-1-[(propan-2-yl)oxy]propan-2-yl 4-methyl-3-nitrobenzoate
Chemical Structure Depiction of
1-oxo-1-[(propan-2-yl)oxy]propan-2-yl 4-methyl-3-nitrobenzoate
1-oxo-1-[(propan-2-yl)oxy]propan-2-yl 4-methyl-3-nitrobenzoate
Compound characteristics
| Compound ID: | 000L-5681 |
| Compound Name: | 1-oxo-1-[(propan-2-yl)oxy]propan-2-yl 4-methyl-3-nitrobenzoate |
| Molecular Weight: | 295.29 |
| Molecular Formula: | C14 H17 N O6 |
| Smiles: | CC(C)OC(C(C)OC(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0673 |
| logD: | 3.0673 |
| logSw: | -3.2903 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.171 |
| InChI Key: | KDQVWTYKRDPGKJ-JTQLQIEISA-N |