3-(3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
3-(3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
3-(3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8007-0769 |
| Compound Name: | 3-(3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C17 H15 N O4 |
| Smiles: | CC12C3CC(C=C3)C1C(N(C2=O)c1cccc(c1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.032 |
| logD: | -0.6575 |
| logSw: | -2.5153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.133 |
| InChI Key: | LNCSDWDMZZWUBD-UHFFFAOYSA-N |