Determine the necessary mass, volume, or concentration for preparing a solution.
≥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 | -0.1 |
|---|
| Sonrisas canónicas | COC1=CNC(=O)C=C1 |
|---|---|
| InChIKey | OLQMORKJFAJCAT-UHFFFAOYSA-N |
| INCHI | 1S/C6H7NO2/c1-9-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8) |
| Isómeros SMILES | COC1=CNC(=O)C=C1 |
| PubChem CID | 12279833 |
| Peso molecular | 125.13 |
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 | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinones |
| Alternative Parents | Dihydropyridines Alkyl aryl ethers Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinone - Dihydropyridine - Alkyl aryl ether - Heteroaromatic compound - Lactam - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone. |
| External Descriptors | Not available |
| Peso molecular | 125.130 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 125.048 Da |
| Monoisotopic Mass | 125.048 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |