≥98%(HPLC)(N) 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.
| Pubchem Sid | 488196419 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196419 |
| Sonrisas canónicas | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=CN=CC=C5)CCCN3C1 |
| IUPAC Name | 5-pyridin-3-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one |
| InChIKey | OEEAIIVRKIVRNX-UHFFFAOYSA-N |
| INCHI | 1S/C20H18N2O2/c23-20-17(14-4-1-7-21-12-14)11-15-10-13-5-2-8-22-9-3-6-16(18(13)22)19(15)24-20/h1,4,7,10-12H,2-3,5-6,8-9H2 |
| Isómeros SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=CN=CC=C5)CCCN3C1 |
| Peso molecular | 318.38 |
| Reaxy-Rn | 7043823 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7043823&ln= |
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 | Phenylpropanoids and polyketides |
| Clase | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | Hydroquinolines 1-benzopyrans Dialkylarylamines Pyranones and derivatives Aralkylamines Pyridines and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Aralkylamine - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Lactone - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 A23301074 | Certificate of Analysis | Nov 17, 2022 | C153973 |
| A23301080 | Certificate of Analysis | Nov 17, 2022 | C153973 |
| A23301081 | Certificate of Analysis | Nov 17, 2022 | C153973 |
| A23301086 | Certificate of Analysis | Nov 17, 2022 | C153973 |
| Punto de fusión (°C) | 165 °C |
|---|---|
| Peso molecular | 318.400 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 318.137 Da |
| Monoisotopic Mass | 318.137 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 546.000 |
| 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 |
