4-(hydroxymethyl)-2-(4-methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
4-(hydroxymethyl)-2-(4-methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
4-(hydroxymethyl)-2-(4-methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3970-0862 |
| Compound Name: | 4-(hydroxymethyl)-2-(4-methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 330.29 |
| Molecular Formula: | C16 H14 N2 O6 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)N1C(C2C(C1=O)C1(CO)C=CC2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6154 |
| logD: | 0.6154 |
| logSw: | -1.6726 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.891 |
| InChI Key: | GYFLGFTWDXAQIG-UHFFFAOYSA-N |