methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Chemical Structure Depiction of
methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Compound characteristics
| Compound ID: | 0DOU-0197 |
| Compound Name: | methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate |
| Molecular Weight: | 249.22 |
| Molecular Formula: | C12 H11 N O5 |
| Smiles: | CC(/C(=C\c1cccc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7985 |
| logD: | 1.7985 |
| logSw: | -2.0597 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.62 |
| InChI Key: | LYUBYLJQOZIBQB-UHFFFAOYSA-N |