1-methoxy-1-oxopropan-2-yl 4-methyl-3-nitrobenzoate
Chemical Structure Depiction of
1-methoxy-1-oxopropan-2-yl 4-methyl-3-nitrobenzoate
1-methoxy-1-oxopropan-2-yl 4-methyl-3-nitrobenzoate
Compound characteristics
| Compound ID: | 0435-5678 |
| Compound Name: | 1-methoxy-1-oxopropan-2-yl 4-methyl-3-nitrobenzoate |
| Molecular Weight: | 267.24 |
| Molecular Formula: | C12 H13 N O6 |
| Smiles: | CC(C(=O)OC)OC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2599 |
| logD: | 2.2599 |
| logSw: | -2.5297 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.912 |
| InChI Key: | PUXMLJHMTKIAQS-QMMMGPOBSA-N |