4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8008-3731 |
| Compound Name: | 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid |
| Molecular Weight: | 285.25 |
| Molecular Formula: | C15 H11 N O5 |
| Smiles: | C1=CC2C3C(C1O2)C(N(C3=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7298 |
| logD: | -1.6654 |
| logSw: | -1.1556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.912 |
| InChI Key: | XQMRTOHPXYYRQT-UHFFFAOYSA-N |