2,2-dimethyl-5-[(2-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
2,2-dimethyl-5-[(2-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
2,2-dimethyl-5-[(2-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | K699-0014 |
| Compound Name: | 2,2-dimethyl-5-[(2-nitroanilino)methylidene]-1,3-dioxane-4,6-dione |
| Molecular Weight: | 292.25 |
| Molecular Formula: | C13 H12 N2 O6 |
| Smiles: | CC1(C)OC(C(=CNc2ccccc2[N+]([O-])=O)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8539 |
| logD: | -0.9038 |
| logSw: | -2.1448 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.428 |
| InChI Key: | KUVZCUQVRLWDDN-UHFFFAOYSA-N |