≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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.
| Pubchem Sid | 528768795 |
|---|---|
| Canonical Smiles | C1=COC(=C1)C(=O)C(=O)O |
| IUPAC Name | 2-(furan-2-yl)-2-oxoacetic acid |
| InChIKey | IXVPCJUAKDVYKX-UHFFFAOYSA-N |
| INCHI | 1S/C6H4O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9) |
| Isomeric SMILES | C1=COC(=C1)C(=O)C(=O)O |
| WGK Germany | 3 |
| PubChem CID | 73846 |
| UN Number | 3261 |
| Molecular Weight | 140.09 |
| Beilstein | 115630 |
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 |
| Direct Parent | Aryl ketones |
| Alternative Parents | Alpha-keto acids and derivatives Heteroaromatic compounds Furans Alpha-hydroxy ketones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl ketone - Keto acid - Alpha-keto acid - Heteroaromatic compound - Furan - Alpha-hydroxy ketone - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group. |
| External Descriptors | Not available |
| Sensitivity | moisture sensitive |
|---|---|
| Melt Point(°C) | 92-97°C |
| Molecular Weight | 140.090 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 140.011 Da |
| Monoisotopic Mass | 140.011 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
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