≥97% 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 | CC(C)C1=NC2=C(C(=C1)C(=O)O)C(=NO2)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 3-phenyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| InChIKey | IOPVMDIEYAXRKG-UHFFFAOYSA-N |
| INCHI | 1S/C16H14N2O3/c1-9(2)12-8-11(16(19)20)13-14(18-21-15(13)17-12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,20) |
| Molecular Weight | 282.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoxazolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoxazolopyridines |
| Alternative Parents | Pyridinecarboxylic acids Benzene and substituted derivatives Isoxazoles Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2-oxazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoxazolopyridines. These are aromatic compounds containing an isoxazole ring fused to a pyridine ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 282.290 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 282.1 Da |
| Monoisotopic Mass | 282.1 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 382.000 |
| 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 |
![6-Isopropyl-3-phenylisoxazolo[5,4-b]pyridine-4-carboxylic acid - ≥97% , CAS No.1018164-96-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)