≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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=NC(=NO1)C(=O)O |
|---|---|
| IUPAC Name | 5-methyl-1,2,4-oxadiazole-3-carboxylic acid |
| InChIKey | UGENJCBDFKUWDO-UHFFFAOYSA-N |
| INCHI | 1S/C4H4N2O3/c1-2-5-3(4(7)8)6-9-2/h1H3,(H,7,8) |
| Isomeric SMILES | CC1=NC(=NO1)C(=O)O |
| Molecular Weight | 128.09 |
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 | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,2,4-oxadiazoles |
| Alternative Parents | Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - 1,2,4-oxadiazole - Oxacycle - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 2, and 4, respectively. |
| External Descriptors | Not available |
| Boil Point(°C) | 317.9±25.0 °C at 760 mmHg |
|---|---|
| Melt Point(°C) | 90 °C |
| Molecular Weight | 128.090 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 128.022 Da |
| Monoisotopic Mass | 128.022 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 127.000 |
| 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 |
