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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC(=O)N(N=C1C(=O)O)CCO |
|---|---|
| IUPAC Name | 1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid |
| InChIKey | PLKGUAYIPRNQCL-UHFFFAOYSA-N |
| INCHI | 1S/C7H10N2O4/c10-4-3-9-6(11)2-1-5(8-9)7(12)13/h10H,1-4H2,(H,12,13) |
| Molecular Weight | 186.17 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridazinones |
| Alternative Parents | N-alkylated hydrazones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Alkanolamines Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyridazinone - N-alkylated hydrazone - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 186.170 g/mol |
|---|---|
| XLogP3 | -1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 186.064 Da |
| Monoisotopic Mass | 186.064 Da |
| Topological Polar Surface Area | 90.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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 |