≥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.
| Canonical Smiles | C1CC(=O)N(C2=C1C=C(C=C2)F)CCC(=O)O |
|---|---|
| IUPAC Name | 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid |
| InChIKey | ZRLSHPXNIUZXJC-UHFFFAOYSA-N |
| INCHI | 1S/C12H12FNO3/c13-9-2-3-10-8(7-9)1-4-11(15)14(10)6-5-12(16)17/h2-3,7H,1,4-6H2,(H,16,17) |
| Isomeric SMILES | C1CC(=O)N(C2=C1C=C(C=C2)F)CCC(=O)O |
| PubChem CID | 43455441 |
| Molecular Weight | 237.22 |
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 | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | Hydroquinolines Benzenoids Aryl fluorides Tertiary carboxylic acid amides Tertiary amines Lactams Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroquinolone - Tetrahydroquinoline - Aryl fluoride - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Lactam - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 237.230 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 237.08 Da |
| Monoisotopic Mass | 237.08 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| 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 |
