≥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.
| Canonical Smiles | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C |
|---|---|
| IUPAC Name | 3-acetyl-7-(diethylamino)chromen-2-one |
| InChIKey | JQYDECSZBZCKFQ-UHFFFAOYSA-N |
| INCHI | 1S/C15H17NO3/c1-4-16(5-2)12-7-6-11-8-13(10(3)17)15(18)19-14(11)9-12/h6-9H,4-5H2,1-3H3 |
| Isomeric SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C |
| PubChem CID | 688763 |
| Molecular Weight | 259.30 |
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 | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Dialkylarylamines Aryl alkyl ketones Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aryl ketone - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Ketone - Lactone - Tertiary amine - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2425192 | Certificate of Analysis | Oct 16, 2024 | A698720 |
| K2425195 | Certificate of Analysis | Oct 16, 2024 | A698720 |
| K2425196 | Certificate of Analysis | Oct 16, 2024 | A698720 |
| K2425197 | Certificate of Analysis | Oct 16, 2024 | A698720 |
| K2425198 | Certificate of Analysis | Oct 16, 2024 | A698720 |
| K2425204 | Certificate of Analysis | Oct 16, 2024 | A698720 |
| Molecular Weight | 259.300 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 259.121 Da |
| Monoisotopic Mass | 259.121 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 398.000 |
| 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 |
