4-hydroxy-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one
Chemical Structure Depiction of
4-hydroxy-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one
4-hydroxy-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one
Compound characteristics
| Compound ID: | 8008-3754 |
| Compound Name: | 4-hydroxy-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one |
| Molecular Weight: | 235.24 |
| Molecular Formula: | C12 H13 N O4 |
| Smiles: | CC(C)(C(/C=C/c1cccc(c1)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.3212 |
| logD: | 2.3212 |
| logSw: | -2.4328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.587 |
| InChI Key: | ZZHVMZIMSODGTH-UHFFFAOYSA-N |