≥90% 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(OCCO1)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 5-(2-methyl-1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole |
| InChIKey | NPRKPMGGWYKYRS-UHFFFAOYSA-N |
| INCHI | 1S/C17H15NO3/c1-17(19-9-10-20-17)13-7-8-15-14(11-13)16(21-18-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3 |
| Isomeric SMILES | CC1(OCCO1)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4 |
| PubChem CID | 649710 |
| Molecular Weight | 281.31 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | Benzene and substituted derivatives Isoxazoles Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Ketal - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Isoxazole - Azole - Meta-dioxolane - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic 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 | 281.300 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 281.105 Da |
| Monoisotopic Mass | 281.105 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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 |
