1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one
1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 1252-1469 |
| Compound Name: | 1-(2-hydroxy-5-methyl-3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 195.17 |
| Molecular Formula: | C9 H9 N O4 |
| Smiles: | CC(c1cc(C)cc(c1O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0233 |
| logD: | 1.2288 |
| logSw: | -2.1149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.625 |
| InChI Key: | XSHQMMIEZHWNAK-UHFFFAOYSA-N |