Decalin-1,4-dione
2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
Also Known As: Decalin-1,4-dione|cis-Decalin-1,4-dione|octahydronaphthalene-1,4-dione|1,4-Naphthalenedione,octahydro|1,4-Naphthalenedione,octahydro-|1,4-Naphthalenedione, octahydro-|2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione|1,4-Naphthalenedione, octahydro-, trans-
CAS: 4939-91-7
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.09938 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.09938 |
| Monoisotopic Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 4939-91-7 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)CCC2=O |
| InChIKey | ZLPBWAJPTCJOGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (2 patents)
Product Overview
Decalin-1,4-dione (CAS 4939-91-7), with molecular formula C10H14O2 and molecular weight 166.09938 g/mol. IUPAC: 2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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