1-Benzoxepin-2(3H)-one, octahydro-
4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one
Also Known As: decahydro-1-benzoxepin-2-one|Decahydro-1-benzooxepin-2-one|Octahydro-1-benzoxepin-2(3H)-one|octahydrobenzo[b]oxepin-2(3H)-one|1-Benzoxepin-2(3H)-one, octahydro-|Octahydro-1-benzoxepin-2(3H)-one #|J2.273.468G|4,5,5a,6,7,8,9,9a-Octahydro-1-benzooxepin-2(3H)-one|4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one
CAS: 4441-65-0
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.11504 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.11504 |
| Monoisotopic Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 4441-65-0 |
|---|---|
| SMILES | C1CCC2C(C1)CCCC(=O)O2 |
| InChIKey | JFTXZBPTXPXYOF-UHFFFAOYSA-N |
Product Overview
1-Benzoxepin-2(3H)-one, octahydro- (CAS 4441-65-0), with molecular formula C10H16O2 and molecular weight 168.11504 g/mol. IUPAC: 4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one.
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.
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1-Benzoxepin-2(3H)-one, octahydro- is a custom synthesis product. We offer services from milligram to kilogram scale.
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