≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Canonical Smiles | CCOC(=O)C1=CNC(=C1C)C(=O)OCC |
|---|---|
| IUPAC Name | diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate |
| InChIKey | KJPYNVNXXUELAB-UHFFFAOYSA-N |
| INCHI | 1S/C11H15NO4/c1-4-15-10(13)8-6-12-9(7(8)3)11(14)16-5-2/h6,12H,4-5H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C1=CNC(=C1C)C(=O)OCC |
| Molecular Weight | 225.24 |
| Reaxy-Rn | 188574 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=188574&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 | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Pyrrole carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrole carboxylic acids and derivatives |
| Alternative Parents | Substituted pyrroles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof). |
| 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 |
|---|---|---|---|
 G2425369 | Certificate of Analysis | Apr 19, 2024 | D176748 |
| G2425370 | Certificate of Analysis | Apr 19, 2024 | D176748 |
| G2425371 | Certificate of Analysis | Apr 19, 2024 | D176748 |
| G2425372 | Certificate of Analysis | Apr 19, 2024 | D176748 |
| G2425384 | Certificate of Analysis | Apr 19, 2024 | D176748 |
| G2425385 | Certificate of Analysis | Apr 19, 2024 | D176748 |
| Molecular Weight | 225.240 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 225.1 Da |
| Monoisotopic Mass | 225.1 Da |
| Topological Polar Surface Area | 68.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 267.000 |
| 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 |
