≥95% 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)CC(C#N)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 2-cyanobutanedioate |
| InChIKey | PJAMMJHRVPQDMS-UHFFFAOYSA-N |
| INCHI | 1S/C7H9NO4/c1-11-6(9)3-5(4-8)7(10)12-2/h5H,3H2,1-2H3 |
| Isomeric SMILES | COC(=O)CC(C#N)C(=O)OC |
| Molecular Weight | 171.15 |
| Reaxy-Rn | 1781500 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781500&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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid methyl esters |
| Alternative Parents | Dicarboxylic acids and derivatives Methyl esters Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2417574 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2417598 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2417628 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2417629 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2417631 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2417632 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2423475 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2423476 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2423477 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| L2423478 | Certificate of Analysis | Nov 20, 2024 | D194279 |
| Molecular Weight | 171.150 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 171.053 Da |
| Monoisotopic Mass | 171.053 Da |
| Topological Polar Surface Area | 76.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |
