≥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.
| Canonical Smiles | C1=CN=CC2=C1C(=O)N(C2=O)CCC(=O)O |
|---|---|
| IUPAC Name | 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanoic acid |
| InChIKey | RTBDUTALJIAXHT-UHFFFAOYSA-N |
| INCHI | 1S/C10H8N2O4/c13-8(14)2-4-12-9(15)6-1-3-11-5-7(6)10(12)16/h1,3,5H,2,4H2,(H,13,14) |
| Isomeric SMILES | C1=CN=CC2=C1C(=O)N(C2=O)CCC(=O)O |
| PubChem CID | 712563 |
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 | Pyrrolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyridines |
| Alternative Parents | Pyridinecarboxylic acids and derivatives N-substituted carboxylic acid imides Pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridine carboxylic acid or derivatives - Pyrrolopyridine - Carboxylic acid imide, n-substituted - Pyridine - Carboxylic acid imide - Pyrrole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 220.180 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 220.048 Da |
| Monoisotopic Mass | 220.048 Da |
| Topological Polar Surface Area | 87.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| 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 |
![3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanoic acid - ≥98% , CAS No.681837-30-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)