≥98% 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.
| Sonrisas canónicas | C1=CC=C(C=C1)COC2=CNC(=CC2=O)C(=O)O |
|---|---|
| IUPAC Name | 4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxylic acid |
| InChIKey | TUJMNQZMSQDVAR-UHFFFAOYSA-N |
| INCHI | 1S/C13H11NO4/c15-11-6-10(13(16)17)14-7-12(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)(H,16,17) |
| Isómeros SMILES | C1=CC=C(C=C1)COC2=CNC(=CC2=O)C(=O)O |
| PubChem CID | 11053918 |
| Peso molecular | 245.23 |
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 |
| Clase | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Pyridinecarboxylic acids - Pyridine-2-carboxylic acids |
| Direct Parent | 5-alkoxy-2-carboxypyrimidines |
| Alternative Parents | Dihydropyridinecarboxylic acids and derivatives Alkyl aryl ethers Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Cyclic ketones Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-alkoxy-2-carboxypyrimidine - Dihydropyridinecarboxylic acid derivative - Alkyl aryl ether - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 5-alkoxy-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkoxy substituent at the 5-position of the pyridine ring. |
| External Descriptors | Not available |
| Peso molecular | 245.230 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 245.069 Da |
| Monoisotopic Mass | 245.069 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 405.000 |
| 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 |
