≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | CC1(COC(OC1)CCCCC(=O)C2=CC3=CC=CC=C3C4=CC=CC=C42)C |
|---|---|
| IUPAC Name | 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenanthren-9-ylpentan-1-one |
| InChIKey | COZHCQXBYBQRRM-UHFFFAOYSA-N |
| INCHI | 1S/C25H28O3/c1-25(2)16-27-24(28-17-25)14-8-7-13-23(26)22-15-18-9-3-4-10-19(18)20-11-5-6-12-21(20)22/h3-6,9-12,15,24H,7-8,13-14,16-17H2,1-2H3 |
| Isomeric SMILES | CC1(COC(OC1)CCCCC(=O)C2=CC3=CC=CC=C3C4=CC=CC=C42)C |
| PubChem CID | 24727939 |
| Molecular Weight | 376.496 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenanthrenes and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthrenes and derivatives |
| Alternative Parents | Butyrophenones Naphthalenes Aryl alkyl ketones 1,3-dioxanes Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenanthrene - Butyrophenone - Naphthalene - Aryl alkyl ketone - Aryl ketone - Meta-dioxane - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aldehyde - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. |
| External Descriptors | Not available |
| Molecular Weight | 376.500 g/mol |
|---|---|
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 376.204 Da |
| Monoisotopic Mass | 376.204 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 518.000 |
| 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 |
![9-[5-(5,5-Dimethyl-1,3-dioxan-2-YL)valeryl]phenanthrene - ≥95% , CAS No.898756-50-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)