for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CCC1=CC=CC2=CC(=C(N=C21)C)C(=O)O |
|---|---|
| IUPAC Name | 8-ethyl-2-methylquinoline-3-carboxylic acid |
| InChIKey | JJAMEZAXWWLCNW-UHFFFAOYSA-N |
| INCHI | 1S/C13H13NO2/c1-3-9-5-4-6-10-7-11(13(15)16)8(2)14-12(9)10/h4-7H,3H2,1-2H3,(H,15,16) |
| Isomeric SMILES | CCC1=CC=CC2=CC(=C(N=C21)C)C(=O)O |
| WGK Germany | 3 |
| PubChem CID | 17040055 |
| Molecular Weight | 215.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Pyridinecarboxylic acids Methylpyridines Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
| External Descriptors | Not available |
| Molecular Weight | 215.250 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 215.095 Da |
| Monoisotopic Mass | 215.095 Da |
| Topological Polar Surface Area | 50.200 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 |
