4-nitrophenyl 2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate
Chemical Structure Depiction of
4-nitrophenyl 2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate
4-nitrophenyl 2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate
Compound characteristics
| Compound ID: | 8010-2133 |
| Compound Name: | 4-nitrophenyl 2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxylate |
| Molecular Weight: | 395.36 |
| Molecular Formula: | C18 H21 N O9 |
| Smiles: | CC1(C)OC2C(C(=O)Oc3ccc(cc3)[N+]([O-])=O)OC3C(C2O1)OC(C)(C)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9136 |
| logD: | 2.9136 |
| logSw: | -3.4656 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.843 |
| InChI Key: | ZYQSWUFUVGIGTA-UHFFFAOYSA-N |