4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
(1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
Also Known As: Hexahydro-4,7-epoxy-2-benzofuran-1(3H)-one|J1.602.456B|(3a-alpha,4-beta,7-beta,7a-alpha)-Hexahydro-4,7-epoxyisobenzofuran-1(3H)-one|4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-|(1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one|(3aR,4R,7S,7aR)-Hexahydro-4,7-epoxy-2-benzofuran-1(3H)-one|(1alpha,2beta,6beta,7alpha)-4,10-Dioxatricyclo[5.2.1.02,6]decane-3-one|4alpha,7alpha-Epoxy-3abeta,4,5,6,7,7abeta-hexahydroisobenzofuran-1(3H)-one
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06299 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.06299 |
| Monoisotopic Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 51155-03-4 |
|---|---|
| SMILES | C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)COC3=O |
| InChIKey | ZMBDOIYQGZHKEU-MVIOUDGNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- (CAS 51155-03-4), with molecular formula C8H10O3 and molecular weight 154.06299 g/mol. IUPAC: (1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.