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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.
| Sonrisas canónicas | C1CC2(CCC1(C=O)C3=CC=CC=C3)OCCO2 |
|---|---|
| IUPAC Name | 8-phenyl-1,4-dioxaspiro[4.5]decane-8-carbaldehyde |
| InChIKey | NWJJFBSWKAAPNW-UHFFFAOYSA-N |
| INCHI | 1S/C15H18O3/c16-12-14(13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15/h1-5,12H,6-11H2 |
| Isómeros SMILES | C1CC2(CCC1(C=O)C3=CC=CC=C3)OCCO2 |
| PubChem CID | 12230275 |
| Peso molecular | 246.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylacetaldehydes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylacetaldehydes |
| Alternative Parents | Ketals 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylacetaldehyde - Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. |
| External Descriptors | Not available |
| Peso molecular | 246.300 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 246.126 Da |
| Monoisotopic Mass | 246.126 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 291.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |