≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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 | C1=C(NC=C1C=O)C(=O)O |
|---|---|
| IUPAC Name | 4-formyl-1H-pyrrole-2-carboxylic acid |
| InChIKey | IGQGTSFYIOGZRK-UHFFFAOYSA-N |
| INCHI | 1S/C6H5NO3/c8-3-4-1-5(6(9)10)7-2-4/h1-3,7H,(H,9,10) |
| Isomeric SMILES | C1=C(NC=C1C=O)C(=O)O |
| PubChem CID | 13780813 |
| Molecular Weight | 139.11 |
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 | Pyrrole carboxylic acids |
| Direct Parent | Pyrrole 2-carboxylic acids |
| Alternative Parents | Aryl-aldehydes Substituted pyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrole-2-carboxylic acid - Aryl-aldehyde - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2. |
| External Descriptors | Not available |
| Sensitivity | light sensitive; air sensitive |
|---|---|
| Molecular Weight | 139.110 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 139.027 Da |
| Monoisotopic Mass | 139.027 Da |
| Topological Polar Surface Area | 70.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
