| Canonical Smiles | C1=CC2=C(C=CC(=C2N=C1)O)CC(=O)O |
|---|---|
| IUPAC Name | 2-(8-hydroxyquinolin-5-yl)acetic acid |
| InChIKey | CJSVAYGVUXBHLS-UHFFFAOYSA-N |
| INCHI | 1S/C11H9NO3/c13-9-4-3-7(6-10(14)15)8-2-1-5-12-11(8)9/h1-5,13H,6H2,(H,14,15) |
| Molecular Weight | 203.19 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Hydroxyquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxyquinolines |
| Alternative Parents | 8-hydroxyquinolines 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydroxyquinoline - 8-hydroxyquinoline - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 203.190 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 203.058 Da |
| Monoisotopic Mass | 203.058 Da |
| Topological Polar Surface Area | 70.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 244.000 |
| 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 |
