1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | C429-0030 |
| Compound Name: | 1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 233.22 |
| Molecular Formula: | C12 H11 N O4 |
| Smiles: | CCCN1C(c2ccc(cc2C1=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1478 |
| logD: | -1.8298 |
| logSw: | -2.6126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.149 |
| InChI Key: | CEWDWKPASIXUDQ-UHFFFAOYSA-N |