≥99 atom% ¹³C,≥98% 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.
| Sonrisas canónicas | CCOC(=O)CC(=O)OCC |
|---|---|
| IUPAC Name | diethyl (1,2,3-13C3)propanedioate |
| InChIKey | IYXGSMUGOJNHAZ-SVFBATFISA-N |
| INCHI | 1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5+1,6+1,7+1 |
| Isómeros SMILES | CCO[13C](=O)[13CH2][13C](=O)OCC |
| CAS alternativo | 105-53-3（Unlabelled） |
| Peso molecular | 163.15 |
| Reaxy-Rn | 774687 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774687&ln= |
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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dicarboxylic acids and derivatives |
| Alternative Parents | 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
| External Descriptors | Not available |
| Índice de refracción | n20/D 1.414 (lit.) |
|---|---|
| Punto de ebullición (°C) | 199 °C (lit.) |
| Punto de fusión (°C) | −51-−50 °C (lit.) |
| Peso molecular | 163.150 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 163.084 Da |
| Monoisotopic Mass | 163.084 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 125.000 |
| Isotope Atom Count | 3 |
| 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 |
