≥97% 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.
| Canonical Smiles | C1=C(NC(=O)C=N1)C(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;6-oxo-1H-pyrazine-2-carboxylate |
| InChIKey | VJVZDRJZUOTQHR-UHFFFAOYSA-M |
| INCHI | 1S/C5H4N2O3.Na/c8-4-2-6-1-3(7-4)5(9)10;/h1-2H,(H,7,8)(H,9,10);/q;+1/p-1 |
| Isomeric SMILES | C1=C(NC(=O)C=N1)C(=O)[O-].[Na+] |
| Alternate CAS | 1314975-91-1 |
| PubChem CID | 55296772 |
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 | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Pyrazine carboxylic acids and derivatives |
| Direct Parent | Pyrazine carboxylic acids |
| Alternative Parents | Heteroaromatic compounds Lactams Carboxylic acid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazine carboxylic acid - Heteroaromatic compound - Carboxylic acid salt - Lactam - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic sodium salt - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Molecular Weight | 162.080 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 162.004 Da |
| Monoisotopic Mass | 162.004 Da |
| Topological Polar Surface Area | 81.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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 | 2 |
