≥95% 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 | C1=CN2C(=NNC2=O)C(=C1)C(=O)O |
|---|---|
| InChIKey | ZKBNKPSAROKKKH-UHFFFAOYSA-N |
| INCHI | 1S/C7H5N3O3/c11-6(12)4-2-1-3-10-5(4)8-9-7(10)13/h1-3H,(H,9,13)(H,11,12) |
| Isomeric SMILES | C1=CN2C(=NNC2=O)C(=C1)C(=O)O |
| Molecular Weight | 179.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Triazolones |
| Direct Parent | Aryl 1,2,4-triazolones |
| Alternative Parents | Triazolopyridines Pyridinecarboxylic acids Pyridinones Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl 1,2,4-triazol-3-one - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Triazolopyridine - Pyridinone - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 179.130 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 179.033 Da |
| Monoisotopic Mass | 179.033 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 380.000 |
| 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 |
![3-Oxo-2，3-dihydro-[1，2，4]triazolo[4，3-a]pyridine-8-carboxylic acid - ≥95% CAS No(53975-72-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/7/O769288.jpg)