3,3-bis(4,5-dimethoxy-2-nitrophenyl)propanoic acid
Chemical Structure Depiction of
3,3-bis(4,5-dimethoxy-2-nitrophenyl)propanoic acid
3,3-bis(4,5-dimethoxy-2-nitrophenyl)propanoic acid
Compound characteristics
| Compound ID: | 8018-3406 |
| Compound Name: | 3,3-bis(4,5-dimethoxy-2-nitrophenyl)propanoic acid |
| Molecular Weight: | 436.37 |
| Molecular Formula: | C19 H20 N2 O10 |
| Smiles: | COc1cc(C(CC(O)=O)c2cc(c(cc2[N+]([O-])=O)OC)OC)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6803 |
| logD: | -1.0627 |
| logSw: | -1.7693 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.034 |
| InChI Key: | RLJRQLXQVUWUQJ-UHFFFAOYSA-N |