3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid
Chemical Structure Depiction of
3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid
3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid
Compound characteristics
| Compound ID: | C088-0001 |
| Compound Name: | 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid |
| Molecular Weight: | 261.27 |
| Molecular Formula: | C14 H15 N O4 |
| Smiles: | C(CN1C(C2C3C=CC(C4CC34)C2C1=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.4905 |
| logD: | -3.0231 |
| logSw: | -0.1132 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.489 |
| InChI Key: | QVKBNBWTDBEIPL-UHFFFAOYSA-N |