≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| ALogP | -0.5 |
|---|
| Canonical Smiles | CN1C=C(N=CC1=O)C(=O)OC |
|---|---|
| InChIKey | LLSCXYAFPBDHMX-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2O3/c1-9-4-5(7(11)12-2)8-3-6(9)10/h3-4H,1-2H3 |
| Isomeric SMILES | CN1C=C(N=CC1=O)C(=O)OC |
| PubChem CID | 74890489 |
| Molecular Weight | 168.15 |
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 |
| Molecular Weight | 168.150 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 168.053 Da |
| Monoisotopic Mass | 168.053 Da |
| Topological Polar Surface Area | 59.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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 |
