3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
Chemical Structure Depiction of
3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | R052-1662 |
| Compound Name: | 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C16 H15 N O4 |
| Smiles: | CC1C=CCC2C1C(N(C2=O)c1cccc(c1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7455 |
| logD: | -0.9441 |
| logSw: | -2.2648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.48 |
| InChI Key: | DYPBDOYFHRTWKX-UHFFFAOYSA-N |