4-(2-methoxy-5-methylanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(2-methoxy-5-methylanilino)-4-oxobut-2-enoic acid
4-(2-methoxy-5-methylanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K784-3103 |
| Compound Name: | 4-(2-methoxy-5-methylanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 235.24 |
| Molecular Formula: | C12 H13 N O4 |
| Smiles: | Cc1ccc(c(c1)NC(/C=C/C(O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6695 |
| logD: | -2.7889 |
| logSw: | -2.0424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.704 |
| InChI Key: | SDPZPTWZENTROE-UHFFFAOYSA-N |