3a-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
3a-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
3a-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4483-3028 |
| Compound Name: | 3a-methyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 298.3 |
| Molecular Formula: | C16 H14 N2 O4 |
| Smiles: | CC12C3CC(C=C3)C1C(N(C2=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.97 |
| logD: | 1.97 |
| logSw: | -2.7513 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.106 |
| InChI Key: | QPHSVVNVYBKYKQ-UHFFFAOYSA-N |