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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1C2C(O2)C3C(O1)COC(O3)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | (1R,2S,4S,7R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane |
| InChIKey | BYKNJRIVJRIKQC-RXGFPQBGSA-N |
| INCHI | 1S/C13H14O4/c1-2-4-8(5-3-1)13-15-6-9-11(17-13)12-10(16-12)7-14-9/h1-5,9-13H,6-7H2/t9-,10+,11-,12+,13-/m1/s1 |
| Isomeric SMILES | C1[C@H]2[C@H](O2)[C@H]3[C@H](O1)CO[C@H](O3)C4=CC=CC=C4 |
| PubChem CID | 10857370 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Dioxepanes |
| Subclass | 1,4-dioxepanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-dioxepanes |
| Alternative Parents | Oxanes Benzene and substituted derivatives 1,3-dioxanes Oxacyclic compounds Epoxides Dialkyl ethers Acetals Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,4-dioxepane - Benzenoid - Oxane - Monocyclic benzene moiety - Meta-dioxane - Oxacycle - Ether - Oxirane - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively. |
| External Descriptors | Not available |
| Molecular Weight | 234.250 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.089 Da |
| Monoisotopic Mass | 234.089 Da |
| Topological Polar Surface Area | 40.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 289.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |