4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzoic acid
4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y042-3152 |
| Compound Name: | 4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C13 H13 N O4 |
| Smiles: | COc1cc(C(O)=O)c(cc1OC)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4146 |
| logD: | 0.2249 |
| logSw: | -2.0856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.592 |
| InChI Key: | POCCMFYSLDOPPP-UHFFFAOYSA-N |