5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid
5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 8002-4947 |
| Compound Name: | 5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C17 H13 N O6 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1cc(cc(c1)C(O)=O)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4786 |
| logD: | -1.6882 |
| logSw: | -1.575 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.541 |
| InChI Key: | JOQBGFKVMFUNCX-UHFFFAOYSA-N |