≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated 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.
| Canonical Smiles | C1CC(=O)OC2=C1C=C(C=C2)I |
|---|---|
| IUPAC Name | 6-iodo-3,4-dihydrochromen-2-one |
| InChIKey | GJDAECCFFXUUEZ-UHFFFAOYSA-N |
| INCHI | 1S/C9H7IO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2 |
| Isomeric SMILES | C1CC(=O)OC2=C1C=C(C=C2)I |
| Molecular Weight | 274.06 |
| Reaxy-Rn | 3605616 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3605616&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 | Phenylpropanoids and polyketides |
| Class | 3,4-dihydrocoumarins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3,4-dihydrocoumarins |
| Alternative Parents | 1-benzopyrans Benzenoids Aryl iodides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3,4-dihydrocoumarin - 1-benzopyran - Benzopyran - Chromane - Benzenoid - Aryl iodide - Aryl halide - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2320644 | Certificate of Analysis | Sep 09, 2023 | I586909 |
| J2320645 | Certificate of Analysis | Sep 09, 2023 | I586909 |
| J2320646 | Certificate of Analysis | Sep 09, 2023 | I586909 |
| J2320647 | Certificate of Analysis | Sep 09, 2023 | I586909 |
| Molecular Weight | 274.050 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 273.949 Da |
| Monoisotopic Mass | 273.949 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
