Determine the necessary mass, volume, or concentration for preparing a solution.
Moligand™ Moligand™ 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 | OC(=O)CCCC(=O)C(=O)O |
|---|---|
| IUPAC Name | 2-oxohexanedioic acid |
| InChIKey | FGSBNBBHOZHUBO-UHFFFAOYSA-N |
| INCHI | 1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) |
| Isomeric SMILES | C(CC(=O)C(=O)O)CC(=O)O |
| PubChem CID | 71 |
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 acids and derivatives |
| Class | Keto acids and derivatives |
| Subclass | Medium-chain keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain keto acids and derivatives |
| Alternative Parents | Dicarboxylic acids and derivatives Alpha-keto acids and derivatives Alpha-hydroxy ketones Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain keto acid - Dicarboxylic acid or derivatives - Alpha-keto acid - Alpha-hydroxy ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
| External Descriptors | Dicarboxylic acids |
| Molecular Weight | 160.120 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 160.037 Da |
| Monoisotopic Mass | 160.037 Da |
| Topological Polar Surface Area | 91.700 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →