ethyl 4-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylate
ethyl 4-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 0086-0129 |
| Compound Name: | ethyl 4-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylate |
| Molecular Weight: | 233.22 |
| Molecular Formula: | C12 H11 N O4 |
| Smiles: | CCOC(C1=C(c2ccccc2C(N1)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.767 |
| logD: | 0.6879 |
| logSw: | -2.4267 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.822 |
| InChI Key: | BOBTXTQSXBWIOR-UHFFFAOYSA-N |