≥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.
| Sonrisas canónicas | C1COC(=O)C2=C1C=NC3=CC=NN32 |
|---|---|
| IUPAC Name | 12-oxa-2,3,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-13-one |
| InChIKey | PJWYZOOXLDNGDN-UHFFFAOYSA-N |
| INCHI | 1S/C9H7N3O2/c13-9-8-6(2-4-14-9)5-10-7-1-3-11-12(7)8/h1,3,5H,2,4H2 |
| Isómeros SMILES | C1COC(=O)C2=C1C=NC3=CC=NN32 |
| PubChem CID | 47002712 |
| Peso molecular | 189.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyranopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyranopyrimidines |
| Alternative Parents | Pyrazolo[1,5-a]pyrimidines Pyrimidines and pyrimidine derivatives Pyrazoles Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyranopyrimidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Lactone - Carboxylic acid ester - Azacycle - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyranopyrimidines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyrimidine ring. |
| External Descriptors | Not available |
| Peso molecular | 189.170 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 189.054 Da |
| Monoisotopic Mass | 189.054 Da |
| Topological Polar Surface Area | 56.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| 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 |
![12-Oxa-2,3,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7-tetraen-13-one - ≥95% CAS No(1235441-65-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/9/O974676.jpg)