≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
Description
Nitrogen-substituted alkynes are strongly polarized alkynes and highly reactive building blocks which have been used for the design of a wide number of transformations. Precursor of highly reactive keteniminium ions and useful reagent for asymmetric synthesis.
| Canonical Smiles | C1COC(=O)N1C#CC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 3-(2-phenylethynyl)-1,3-oxazolidin-2-one |
| InChIKey | GBUSLWYYBBBMGC-UHFFFAOYSA-N |
| INCHI | 1S/C11H9NO2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2 |
| Isomeric SMILES | C1COC(=O)N1C#CC2=CC=CC=C2 |
| PubChem CID | 23629254 |
| Molecular Weight | 187.19 |
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 | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolidinones |
| Alternative Parents | Benzene and substituted derivatives Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenoid - Oxazolidinone - Monocyclic benzene moiety - Carbamic acid ester - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 187.190 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 187.063 Da |
| Monoisotopic Mass | 187.063 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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 |
