2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Chemical Structure Depiction of
2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Compound characteristics
| Compound ID: | C428-0005 |
| Compound Name: | 2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid |
| Molecular Weight: | 235.24 |
| Molecular Formula: | C12 H13 N O4 |
| Smiles: | COCCN1Cc2cccc(C(O)=O)c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.0581 |
| logD: | -2.7419 |
| logSw: | -2.1895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.885 |
| InChI Key: | MDJVIOXYXZBTEQ-UHFFFAOYSA-N |