≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | C(C(=O)CCl)C(=O)O |
|---|---|
| IUPAC Name | 4-chloro-3-oxobutanoic acid |
| InChIKey | UCTNTYHJFWMUBD-UHFFFAOYSA-N |
| INCHI | 1S/C4H5ClO3/c5-2-3(6)1-4(7)8/h1-2H2,(H,7,8) |
| Isomeric SMILES | C(C(=O)CCl)C(=O)O |
| PubChem CID | 119720 |
| Molecular Weight | 136.53 |
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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halogenated fatty acids |
| Alternative Parents | Short-chain keto acids and derivatives Beta-keto acids and derivatives Beta-hydroxy ketones 1,3-dicarbonyl compounds Alpha-chloroketones Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-keto acid - Halogenated fatty acid - Short-chain keto acid - Beta-hydroxy ketone - 1,3-dicarbonyl compound - Keto acid - Alpha-haloketone - Alpha-chloroketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Alkyl chloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organochloride - Alkyl halide - Organohalogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br). |
| External Descriptors | Not available |
| Molecular Weight | 136.530 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 135.993 Da |
| Monoisotopic Mass | 135.993 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 |
