methyl 4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Chemical Structure Depiction of
methyl 4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
methyl 4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8016-3328 |
| Compound Name: | methyl 4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate |
| Molecular Weight: | 274.23 |
| Molecular Formula: | C13 H10 N2 O5 |
| Smiles: | COC(C1C2C(C(N(C2=O)c2ccccc2)=O)ON=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1252 |
| logD: | 0.1251 |
| logSw: | -1.196 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.136 |
| InChI Key: | KBVIPRCJINMKIJ-UHFFFAOYSA-N |