≥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 | CCOC(=O)C1=CC(=O)C2=C(N1)C(=CC(=C2OC)OC)OC |
|---|---|
| IUPAC Name | ethyl 5,6,8-trimethoxy-4-oxo-1H-quinoline-2-carboxylate |
| InChIKey | DYQWDTGVCQIADK-UHFFFAOYSA-N |
| INCHI | 1S/C15H17NO6/c1-5-22-15(18)8-6-9(17)12-13(16-8)10(19-2)7-11(20-3)14(12)21-4/h6-7H,5H2,1-4H3,(H,16,17) |
| Isomeric SMILES | CCOC(=O)C1=CC(=O)C2=C(N1)C(=CC(=C2OC)OC)OC |
| Alternate CAS | 6046-71-5 |
| PubChem CID | 15434941 |
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 Pyridinecarboxylic acids Anisoles Alkyl aryl ethers Vinylogous esters Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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 | 307.300 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 307.106 Da |
| Monoisotopic Mass | 307.106 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 463.000 |
| 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 |
