4-(2,5-dimethoxyanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(2,5-dimethoxyanilino)-4-oxobut-2-enoic acid
4-(2,5-dimethoxyanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K784-3107 |
| Compound Name: | 4-(2,5-dimethoxyanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 251.24 |
| Molecular Formula: | C12 H13 N O5 |
| Smiles: | COc1ccc(c(c1)NC(/C=C/C(O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.516 |
| logD: | -2.9424 |
| logSw: | -1.9469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.248 |
| InChI Key: | LCOSAGWQXISENW-UHFFFAOYSA-N |