4-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)benzoic acid
Chemical Structure Depiction of
4-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)benzoic acid
4-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)benzoic acid
Compound characteristics
| Compound ID: | 5826-0308 |
| Compound Name: | 4-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)benzoic acid |
| Molecular Weight: | 323.3 |
| Molecular Formula: | C18 H13 N O5 |
| Smiles: | CCN1C(c2ccc(cc2C1=O)C(c1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0166 |
| logD: | -0.5902 |
| logSw: | -3.1317 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.363 |
| InChI Key: | LWHRMTRMDBIMNR-UHFFFAOYSA-N |