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| Duplicate ID | |
|---|---|
| Molecule Name | 2-[2-(butoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| 2-[2-(butoxycarbonyl)phenyl]-1,3-dioxoisoindoline-5-carboxylic acid | |
| 2-[2-(butoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylic acid | |
| Smiles | CCCCOC(=O)c1ccccc1N1C(=O)c2c(C1=O)cc(cc2)C(=O)O |
| Cas Number | |
| InchiKey | DAVOHDIXNYPOHO-UHFFFAOYSA-N |
| InChi | InChI=1S/C20H17NO6/c1-2-3-10-27-20(26)14-6-4-5-7-16(14)21-17(22)13-9-8-12(19(24)25)11-15(13)18(21)23/h4-9,11H,2-3,10H2,1H3,(H,24,25) |
| Formula | C20H17NO6 |
| Molecular weight | 367.352 |
| Rings | 3 |
| logP | 3.2073 |
| PSA | 100.98 |
| MR | 99.6188 |