≥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.
| Canonical Smiles | CC(=O)C1=C2C=CC(=O)NC2=C(C=C1)O |
|---|---|
| IUPAC Name | 5-acetyl-8-hydroxy-1H-quinolin-2-one |
| InChIKey | PJVZAXRWCFBQFH-UHFFFAOYSA-N |
| INCHI | 1S/C11H9NO3/c1-6(13)7-2-4-9(14)11-8(7)3-5-10(15)12-11/h2-5,14H,1H3,(H,12,15) |
| Isomeric SMILES | CC(=O)C1=C2C=CC(=O)NC2=C(C=C1)O |
| Molecular Weight | 203.19 |
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 |
| Class | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxyquinolones |
| Alternative Parents | 8-hydroxyquinolines Hydroquinolones Hydroxyquinolines Hydroquinolines Acetophenones Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Pyridinones Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Aldehydes Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydroxyquinolone - Dihydroquinolone - Hydroxyquinoline - 8-hydroxyquinoline - Dihydroquinoline - Acetophenone - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Lactam - Ketone - Azacycle - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine. |
| External Descriptors | Not available |
| Molecular Weight | 203.190 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 203.058 Da |
| Monoisotopic Mass | 203.058 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 324.000 |
| 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 |
I2518561