≥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 | CC(=O)C1=CC(=C2N1C=CC=C2)C(=O)O |
|---|---|
| IUPAC Name | 3-acetylindolizine-1-carboxylic acid |
| InChIKey | OCNARWZVXHBIDY-UHFFFAOYSA-N |
| INCHI | 1S/C11H9NO3/c1-7(13)10-6-8(11(14)15)9-4-2-3-5-12(9)10/h2-6H,1H3,(H,14,15) |
| Isomeric SMILES | CC(=O)C1=CC(=C2N1C=CC=C2)C(=O)O |
| Molecular Weight | 203.19 |
| Reaxy-Rn | 29186074 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29186074&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 | Pyrrolopyridines |
| Subclass | Indolizines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolizines |
| Alternative Parents | Pyrrole carboxylic acids Aryl alkyl ketones Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolizine - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Pyridine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolizines. These are polycyclic compounds containing an indolizine moiety, which is characterized by the presence of a pyrrole ring fused to a pyridine(Pyrrolo[1,2-a]pyridine). |
| External Descriptors | Not available |
| Molecular Weight | 203.190 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 203.058 Da |
| Monoisotopic Mass | 203.058 Da |
| Topological Polar Surface Area | 58.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 290.000 |
| 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 |
