3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid
Chemical Structure Depiction of
3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid
3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid
Compound characteristics
| Compound ID: | 8019-6738 |
| Compound Name: | 3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid |
| Molecular Weight: | 313.26 |
| Molecular Formula: | C13 H15 N O8 |
| Smiles: | COc1cc(C(CC(O)=O)CC(O)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.6767 |
| logD: | -3.7347 |
| logSw: | -0.9798 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.348 |
| InChI Key: | YMKNYHIMOZLIIG-UHFFFAOYSA-N |