4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-3-hydroxy-
5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
Also Known As: 4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-3-hydroxy-|5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one|3-hydroxy-3a,4,7,7a-tetrahydro-1H,3H-4,7-methano-isobenzofuran-1-one|3-hydroxy-3a,4,7,7a-tetrahydro-1H,3H-4,7-methano-isobenzofuran1-one|3-Hydroxy-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3H)-one|4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-3-hydroxy|(3RS,3aRS,4RS,7RS,7aRS)3-hydroxy-3a,4,7,7a-tetrahydro-1H,3H-4,7-methano-isobenzofuran-1-one
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06299 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.06299 |
| Monoisotopic Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 56232-16-7 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(OC3=O)O |
| InChIKey | QJQKWWRFMPGUIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-3-hydroxy- (CAS 56232-16-7), with molecular formula C9H10O3 and molecular weight 166.06299 g/mol. IUPAC: 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.