3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
Chemical Structure Depiction of
3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
Compound characteristics
| Compound ID: | C612-0509 |
| Compound Name: | 3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxylic acid |
| Molecular Weight: | 219.24 |
| Molecular Formula: | C12 H13 N O3 |
| Smiles: | CCCN1Cc2cccc(C(O)=O)c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.9361 |
| logD: | -1.8639 |
| logSw: | -2.4642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.543 |
| InChI Key: | PDPFTZLBVUSROP-UHFFFAOYSA-N |