Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | C1=COC(=N1)C=O |
|---|---|
| IUPAC Name | 1,3-oxazole-2-carbaldehyde |
| InChIKey | TYHOSUCCUICRLM-UHFFFAOYSA-N |
| INCHI | 1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H |
| Isómeros SMILES | C1=COC(=N1)C=O |
| Número ONU | 1993 |
| Grupo de embalaje | III |
| Peso molecular | 97.07 |
| Reaxy-Rn | 1098977 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098977&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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Aryl-aldehydes |
| Alternative Parents | Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring. |
| External Descriptors | Not available |
| Punto de ebullición (°C) | 182° C (Predicted) |
|---|---|
| Peso molecular | 97.070 g/mol |
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 97.0164 Da |
| Monoisotopic Mass | 97.0164 Da |
| Topological Polar Surface Area | 43.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 74.100 |
| 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 |