≥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 | CC(C)N1C2=NC3=C(CCOC3=O)C=C2C=N1 |
|---|---|
| IUPAC Name | 4-propan-2-yl-12-oxa-2,4,5-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraen-13-one |
| InChIKey | ZPBGNXHOCLPLIW-UHFFFAOYSA-N |
| INCHI | 1S/C12H13N3O2/c1-7(2)15-11-9(6-13-15)5-8-3-4-17-12(16)10(8)14-11/h5-7H,3-4H2,1-2H3 |
| Isomeric SMILES | CC(C)N1C2=NC3=C(CCOC3=O)C=C2C=N1 |
| PubChem CID | 39869593 |
| Molecular Weight | 231.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Pyridinecarboxylic acids Pyrazolopyridines 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 | Pyranopyridine - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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 | 231.250 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.101 Da |
| Monoisotopic Mass | 231.101 Da |
| Topological Polar Surface Area | 57.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| 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 |
![4-(Propan-2-yl)-12-oxa-2,4,5-triazatricyclo[7.4.0.0,3,7]trideca-1(9),2,5,7-tetraen-13-one - ≥95% , CAS No.1114823-86-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)