≥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 | C1COC(=O)C2=NC3=C(C=C21)C(=O)NC(=O)N3 |
|---|---|
| IUPAC Name | 13-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,7,14-trione |
| InChIKey | XCOFCJSIWIFOSH-UHFFFAOYSA-N |
| INCHI | 1S/C10H7N3O4/c14-8-5-3-4-1-2-17-9(15)6(4)11-7(5)12-10(16)13-8/h3H,1-2H2,(H2,11,12,13,14,16) |
| Isomeric SMILES | C1COC(=O)C2=NC3=C(C=C21)C(=O)NC(=O)N3 |
| PubChem CID | 39869769 |
| Molecular Weight | 233.18 |
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 | Pyranopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyranopyridines |
| Alternative Parents | Pyrido[2,3-d]pyrimidines Pyridinecarboxylic acids Pyrimidones Vinylogous amides Heteroaromatic compounds Ureas Lactones Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Pyranopyridine - Pyridopyrimidine - Pyridine carboxylic acid - Pyrimidone - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Lactone - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring. |
| External Descriptors | Not available |
| Molecular Weight | 233.180 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 233.044 Da |
| Monoisotopic Mass | 233.044 Da |
| Topological Polar Surface Area | 97.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 397.000 |
| 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 |
![13-Oxa-2,4,6-triazatricyclo[8.4.0.0,3,8]tetradeca-1(10),2,8-triene-5,7,14-trione - ≥95% CAS No(1114822-68-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/9/O976208.jpg)