≥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 | COC(=O)C1C(=O)CCO1 |
|---|---|
| IUPAC Name | methyl 3-oxooxolane-2-carboxylate |
| InChIKey | QAYHTXVTPGDAJH-UHFFFAOYSA-N |
| INCHI | 1S/C6H8O4/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3 |
| Isomeric SMILES | COC(=O)C1C(=O)CCO1 |
| Alternate CAS | 99017-83-1 |
| PubChem CID | 11984038 |
| Molecular Weight | 144.13 |
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 | Organoheterocyclic compounds |
| Class | Dihydrofurans |
| Subclass | Furanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Furanones |
| Alternative Parents | 1,3-dicarbonyl compounds Oxolanes Methyl esters Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 3-furanone - 1,3-dicarbonyl compound - Oxolane - Methyl ester - Carboxylic acid ester - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furanones. These are compounds containing a furan ring bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 144.120 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 144.042 Da |
| Monoisotopic Mass | 144.042 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
