≥95% 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)C2=NC(=C(C(=O)N2)O)C(=O)O |
|---|---|
| IUPAC Name | 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid |
| InChIKey | ZCILTNACHNCSCB-UHFFFAOYSA-N |
| INCHI | 1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15) |
| Isómeros SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)O)C(=O)O |
| PubChem CID | 135406878 |
| Peso molecular | 232.19 |
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 |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxylic acids |
| Alternative Parents | Hydropyrimidine carboxylic acids and derivatives Pyrimidones Hydroxypyrimidines Benzene and substituted derivatives Vinylogous amides Vinylogous acids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidone - Hydroxypyrimidine - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. |
| External Descriptors | Not available |
| Peso molecular | 232.190 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 232.048 Da |
| Monoisotopic Mass | 232.048 Da |
| Topological Polar Surface Area | 99.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| 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 |
