≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | B1(OC(C(O1)(C)C)(C)C)C2=COCCO2 |
|---|---|
| InChIKey | PQUXXLGCBJLNMN-UHFFFAOYSA-N |
| INCHI | 1S/C10H17BO4/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h7H,5-6H2,1-4H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=COCCO2 |
| PubChem CID | 24970653 |
| Molecular Weight | 212.05 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Dioxins |
| Subclass | Para dioxins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Para dioxins |
| Alternative Parents | Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Para-dioxin - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as para dioxins. These are compounds containing a para dioxin moiety, which consists of an unsaturated six-member ring with two oxygen atoms at positions 1 and 4, as well as two CC double bonds. |
| External Descriptors | Not available |
| Molecular Weight | 212.050 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.122 Da |
| Monoisotopic Mass | 212.122 Da |
| Topological Polar Surface Area | 36.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 269.000 |
| 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 |
