4-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
4-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
4-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8008-7439 |
| Compound Name: | 4-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid |
| Molecular Weight: | 313.31 |
| Molecular Formula: | C17 H15 N O5 |
| Smiles: | CC12C=CC(C)(C3C1C(N(C3=O)c1ccc(cc1)C(O)=O)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3967 |
| logD: | -0.9985 |
| logSw: | -1.7687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.507 |
| InChI Key: | JNJUYMAVYLYJRG-UHFFFAOYSA-N |