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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 | C1CC2=C3C(=CC=C2)C4=C(C(=CC(=O)O4)O)C(=O)N3C1 |
|---|---|
| IUPAC Name | 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione |
| InChIKey | NAKALTGIZGZIAU-UHFFFAOYSA-N |
| INCHI | 1S/C15H11NO4/c17-10-7-11(18)20-14-9-5-1-3-8-4-2-6-16(13(8)9)15(19)12(10)14/h1,3,5,7,17H,2,4,6H2 |
| Isomeric SMILES | C1CC2=C3C(=CC=C2)C4=C(C(=CC(=O)O4)O)C(=O)N3C1 |
| PubChem CID | 54682192 |
| Molecular Weight | 269.26 |
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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 | Pyranoquinolines |
| Alternative Parents | Hydroquinolones Pyranopyridines Hydroquinolines Pyridinones Pyranones and derivatives Benzenoids Vinylogous acids Heteroaromatic compounds Lactams Lactones Azacyclic compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyranoquinoline - Dihydroquinolone - Dihydroquinoline - Pyranopyridine - Pyranone - Pyridinone - Benzenoid - Pyridine - Pyran - Heteroaromatic compound - Vinylogous acid - Lactam - Lactone - Oxacycle - Azacycle - Hydrocarbon derivative - 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 pyranoquinolines. These are polycyclic compounds containing a pyran ring fused to a quinoline moiety. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine. |
| External Descriptors | Not available |
| Molecular Weight | 269.250 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 269.069 Da |
| Monoisotopic Mass | 269.069 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 562.000 |
| 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 |
![6-Hydroxy-3-oxa-9-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,13,15-pentaene-4,8-dione , CAS No.95594-15-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)