Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1OC2=C(O1)C=C3C(=C2)C=C(C(=O)N3)C=O |
|---|---|
| IUPAC Name | 6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde |
| InChIKey | JHECNOLILDQPIP-UHFFFAOYSA-N |
| INCHI | 1S/C11H7NO4/c13-4-7-1-6-2-9-10(16-5-15-9)3-8(6)12-11(7)14/h1-4H,5H2,(H,12,14) |
| Isomeric SMILES | C1OC2=C(O1)C=C3C(=C2)C=C(C(=O)N3)C=O |
| PubChem CID | 3145231 |
| Molecular Weight | 217.18 |
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 | Hydroquinolones |
| Alternative Parents | Hydroquinolines Benzodioxoles Pyridine carboxaldehydes Pyridinones Aryl-aldehydes Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroquinolone - Dihydroquinoline - Benzodioxole - 3-pyridine carboxaldehyde - Pyridinone - Aryl-aldehyde - Benzenoid - Pyridine - Vinylogous amide - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Acetal - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - 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 |
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| Molecular Weight | 217.180 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 217.038 Da |
| Monoisotopic Mass | 217.038 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |