[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetic acid
Chemical Structure Depiction of
[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetic acid
[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetic acid
Compound characteristics
| Compound ID: | 5135-0060 |
| Compound Name: | [rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetic acid |
| Molecular Weight: | 221.21 |
| Molecular Formula: | C11 H11 N O4 |
| Smiles: | C1[C@H]2C=C[C@@H]1C1C2C(N(CC(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.1239 |
| logD: | -5.4469 |
| logSw: | -0.4143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.991 |
| InChI Key: | KXETVEDTUWAYHA-VABKVPQOSA-N |