≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1C2CC1(CO2)C(=O)O |
|---|---|
| IUPAC Name | 2-oxabicyclo[2.1.1]hexane-4-carboxylic acid |
| InChIKey | BQBKRRKIZVFNCB-UHFFFAOYSA-N |
| INCHI | 1S/C6H8O3/c7-5(8)6-1-4(2-6)9-3-6/h4H,1-3H2,(H,7,8) |
| Isomeric SMILES | C1C2CC1(CO2)C(=O)O |
| Alternate CAS | 1784145-36-3 |
| PubChem CID | 84075988 |
| Molecular Weight | 128.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Heterocyclic fatty acids |
| Alternative Parents | Branched fatty acids Tetrahydrofurans Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Heterocyclic fatty acid - Branched fatty acid - Tetrahydrofuran - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain. |
| External Descriptors | Not available |
| Molecular Weight | 128.130 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 128.047 Da |
| Monoisotopic Mass | 128.047 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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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