4-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Chemical Structure Depiction of
4-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
4-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-1799 |
| Compound Name: | 4-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C19 H17 N O4 |
| Smiles: | CC(C)=C1C2C=CC1C1C2C(N(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0751 |
| logD: | -0.3201 |
| logSw: | -2.4592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.133 |
| InChI Key: | CVYWVAYSMDKNGF-UHFFFAOYSA-N |