methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoate
Chemical Structure Depiction of
methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoate
methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 8009-0215 |
| Compound Name: | methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoate |
| Molecular Weight: | 299.28 |
| Molecular Formula: | C16 H13 N O5 |
| Smiles: | COC(c1ccccc1N1C(C2C(C3C=CC2O3)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9301 |
| logD: | 0.9301 |
| logSw: | -2.0013 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.377 |
| InChI Key: | ONQGDCDWHZJBRV-UHFFFAOYSA-N |