≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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.
| ALogP | 1.9 |
|---|
| Canonical Smiles | CCOC(=O)CC(=O)C1=CN=C(C=C1)Cl |
|---|---|
| IUPAC Name | ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoate |
| InChIKey | GDJNNARPYCGJSG-UHFFFAOYSA-N |
| INCHI | 1S/C10H10ClNO3/c1-2-15-10(14)5-8(13)7-3-4-9(11)12-6-7/h3-4,6H,2,5H2,1H3 |
| Isomeric SMILES | CCOC(=O)CC(=O)C1=CN=C(C=C1)Cl |
| PubChem CID | 10421283 |
| Molecular Weight | 227.64 |
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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Fatty acid esters Beta-keto acids and derivatives 2-halopyridines Aryl chlorides 1,3-dicarbonyl compounds Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - 2-halopyridine - Beta-keto acid - Fatty acid ester - Aryl chloride - Aryl halide - Fatty acyl - Keto acid - 1,3-dicarbonyl compound - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
| Molecular Weight | 227.640 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 227.035 Da |
| Monoisotopic Mass | 227.035 Da |
| Topological Polar Surface Area | 56.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 245.000 |
| 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 |
