Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
≥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.
| Pubchem Sid | 504764780 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764780 |
| Canonical Smiles | COC(=O)C1=CNC(=O)C=N1 |
| IUPAC Name | methyl 6-oxo-1H-pyrazine-3-carboxylate |
| InChIKey | VNFXNPFSTYYFCZ-UHFFFAOYSA-N |
| INCHI | 1S/C6H6N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h2-3H,1H3,(H,8,9) |
| Isomeric SMILES | COC(=O)C1=CNC(=O)C=N1 |
| Molecular Weight | 154.12 |
| Reaxy-Rn | 5508450 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5508450&ln= |
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 |
| Class | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Pyrazine carboxylic acids and derivatives |
| Direct Parent | Pyrazine carboxylic acids |
| Alternative Parents | Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazine carboxylic acid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 30, 2024 | M181401 | |
| Certificate of Analysis | Jan 30, 2024 | M181401 | |
| Certificate of Analysis | Jan 30, 2024 | M181401 | |
| Certificate of Analysis | Jan 30, 2024 | M181401 | |
| Certificate of Analysis | Jan 30, 2024 | M181401 | |
| Certificate of Analysis | Jan 30, 2024 | M181401 | |
| Certificate of Analysis | Jan 30, 2024 | M181401 | |
| Certificate of Analysis | Jan 30, 2024 | M181401 | |
| Certificate of Analysis | Jan 30, 2024 | M181401 |
| Molecular Weight | 154.120 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.038 Da |
| Monoisotopic Mass | 154.038 Da |
| Topological Polar Surface Area | 67.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 255.000 |
| 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 |