for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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=CC2=CC3=C(C=C2OC1=O)N(C(CC3C)(C)C)CCCC(=O)O |
|---|---|
| IUPAC Name | 4-(3-ethoxycarbonyl-6,8,8-trimethyl-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl)butanoic acid |
| InChIKey | WNDDWSAHNYBXKY-UHFFFAOYSA-N |
| INCHI | 1S/C22H27NO6/c1-5-28-20(26)16-10-14-9-15-13(2)12-22(3,4)23(8-6-7-19(24)25)17(15)11-18(14)29-21(16)27/h9-11,13H,5-8,12H2,1-4H3,(H,24,25) |
| Molecular Weight | 401.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromenopyridines |
| Alternative Parents | Coumarins and derivatives Hydroquinolines Dialkylarylamines Pyranones and derivatives Aralkylamines Amino fatty acids Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Lactones Amino acids Carboxylic acid esters Oxacyclic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromenopyridine - Coumarin - Tetrahydroquinoline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Amino fatty acid - Pyranone - Aralkylamine - Dicarboxylic acid or derivatives - Pyran - Benzenoid - Fatty acyl - Heteroaromatic compound - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Amino acid - Lactone - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety. |
| External Descriptors | dicarboxylic acid monoester - ethyl ester - 7-aminocoumarins |
| Molecular Weight | 401.500 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 401.184 Da |
| Monoisotopic Mass | 401.184 Da |
| Topological Polar Surface Area | 93.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 699.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-(3-(Ethoxycarbonyl)-6,8,8-trimethyl-2-oxo-7,8-dihydro-2H-pyrano[3,2-g]quinolin-9(6H)-yl)butanoic acid - CAS No(652966-03-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/9/E931131.jpg)