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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CC(=O)C1=NC=C(S1)C(=O)O |
|---|---|
| IUPAC Name | 2-acetyl-1,3-thiazole-5-carboxylic acid |
| InChIKey | LIFGFPYQXSGAQL-UHFFFAOYSA-N |
| INCHI | 1S/C6H5NO3S/c1-3(8)5-7-2-4(11-5)6(9)10/h2H,1H3,(H,9,10) |
| Isómeros SMILES | CC(=O)C1=NC=C(S1)C(=O)O |
| CAS alternativo | 1095824-76-2 |
| PubChem CID | 49853468 |
| Peso molecular | 171.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazolecarboxylic acids and derivatives |
| Alternative Parents | Aryl alkyl ketones 2,5-disubstituted thiazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiazolecarboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - 2,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Ketone - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof). |
| External Descriptors | Not available |
| Peso molecular | 171.180 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 170.999 Da |
| Monoisotopic Mass | 170.999 Da |
| Topological Polar Surface Area | 95.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 194.000 |
| 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 |