≥98% 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 | C1C(=O)C2=CC=CC=C2OC13CNC3.Cl |
|---|---|
| IUPAC Name | spiro[3H-chromene-2,3'-azetidine]-4-one;hydrochloride |
| InChIKey | TYWUOQGJIFWZDU-UHFFFAOYSA-N |
| INCHI | 1S/C11H11NO2.ClH/c13-9-5-11(6-12-7-11)14-10-4-2-1-3-8(9)10;/h1-4,12H,5-7H2;1H |
| Isomeric SMILES | C1C(=O)C2=CC=CC=C2OC13CNC3.Cl |
| PubChem CID | 72716403 |
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 | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Aryl alkyl ketones Alkyl aryl ethers Benzenoids Azetidines Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Azetidine - Ketone - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
| Molecular Weight | 225.670 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 225.056 Da |
| Monoisotopic Mass | 225.056 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 260.000 |
| 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 | 2 |
