4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
Chemical Structure Depiction of
4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
Compound characteristics
| Compound ID: | 1900-0196 |
| Compound Name: | 4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one |
| Molecular Weight: | 233.26 |
| Molecular Formula: | C13 H15 N O3 |
| Smiles: | CC(C)(C)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6198 |
| logD: | 3.6198 |
| logSw: | -3.6144 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.867 |
| InChI Key: | UILQQNPNRHEZAP-UHFFFAOYSA-N |