methyl 4-(3-nitrophenyl)-2,4-dioxobutanoate
Chemical Structure Depiction of
methyl 4-(3-nitrophenyl)-2,4-dioxobutanoate
methyl 4-(3-nitrophenyl)-2,4-dioxobutanoate
Compound characteristics
| Compound ID: | Y503-3042 |
| Compound Name: | methyl 4-(3-nitrophenyl)-2,4-dioxobutanoate |
| Molecular Weight: | 251.19 |
| Molecular Formula: | C11 H9 N O6 |
| Smiles: | COC(C(CC(c1cccc(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2007 |
| logD: | 1.1907 |
| logSw: | -2.0299 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.288 |
| InChI Key: | QYSCKGUZJUBRDG-UHFFFAOYSA-N |