methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 1885-0235 |
| Compound Name: | methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C16 H15 N O4 |
| Smiles: | COC(c1cccc(c1)N1C(C2CC=CCC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1392 |
| logD: | 2.1392 |
| logSw: | -2.6389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.246 |
| InChI Key: | FQBOYUXNLGZBHN-UHFFFAOYSA-N |