methyl 5-(3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8006-4111 |
| Compound Name: | methyl 5-(3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 318.24 |
| Molecular Formula: | C13 H10 N4 O6 |
| Smiles: | COC(C1C2C(C(N(C2=O)c2cccc(c2)[N+]([O-])=O)=O)NN=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0803 |
| logD: | -0.2547 |
| logSw: | -2.0492 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.71 |
| InChI Key: | SGGMNGYFWXEHGW-UHFFFAOYSA-N |