Hexahydrophthalide
3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
Also Known As: hexahydrophthalide|1-Isobenzofuranone, hexahydro-|octahydro-2-benzofuran-1-one|Hexahydroisobenzofuran-1(3H)-one|8-oxabicyclo[4,3,0]nonane-7-one|Octahydroisobenzofuran-1-one|hexahydro-isobenzofuran-l-one|Hexahydro-isobenzofuran-1-one|Hexahydro-1(3H)-isobenzofuranone|hexahydro 1-(3H)-isobenzofuranone|3-oxabicyclo[3.4.0]nonan-2-one|Hexahydro-2-benzofuran-1(3H)-one|cis-hexahydroisobenzofuran-1(3H)-one|3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one|3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one|rac-(3aR,7aS)-octahydro-2-benzofuran-1-one|(3ar,7as)-hexahydro-2-benzofuran-1(3h)-one|2-(Hydroxymethyl)cyclohexanecarboxylic acid lactone|3a,4,5,6,7,7a-Hexahydroisobenzofuran-1(3H)-one|2-(Hydroxymethyl)cyclohexane-1-carboxylic acid lactone|(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08372 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.08372 |
| Monoisotopic Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 7702-72-9 |
|---|---|
| SMILES | C1CCC2C(C1)COC2=O |
| InChIKey | WLYUMBPDHPMKHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydrophthalide (CAS 7702-72-9), with molecular formula C8H12O2 and molecular weight 140.08372 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one.