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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC2(CC1O)OCCO2 |
|---|---|
| IUPAC Name | 1,4-dioxaspiro[4.4]nonan-8-ol |
| InChIKey | GIFUGOIZRIPGPS-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O3/c8-6-1-2-7(5-6)9-3-4-10-7/h6,8H,1-5H2 |
| Isomeric SMILES | C1CC2(CC1O)OCCO2 |
| PubChem CID | 13757464 |
| Molecular Weight | 144.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | 1,3-dioxolanes Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Ketal - Cyclic alcohol - Meta-dioxolane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
| External Descriptors | Not available |
| Molecular Weight | 144.170 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 144.079 Da |
| Monoisotopic Mass | 144.079 Da |
| Topological Polar Surface Area | 38.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 129.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |