3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4917-0016 |
| Compound Name: | 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C17 H15 N O4 |
| Smiles: | C1CC2C=CC1C1C2C(N(C1=O)c1cccc(c1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9065 |
| logD: | -0.7831 |
| logSw: | -2.0112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.401 |
| InChI Key: | BMDLTEZWROCHSR-UHFFFAOYSA-N |