3-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoic acid
3-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3970-0963 |
| Compound Name: | 3-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoic acid |
| Molecular Weight: | 415.35 |
| Molecular Formula: | C20 H17 N O9 |
| Smiles: | CC(=O)OC(C12C=CC(C3C1C(N(C3=O)c1cccc(c1)C(O)=O)=O)O2)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6618 |
| logD: | -2.0278 |
| logSw: | -1.4152 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.277 |
| InChI Key: | WJAGJAHTEFRDQD-UHFFFAOYSA-N |