Determine the necessary mass, volume, or concentration for preparing a solution.
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≥96% 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.
| Pubchem Sid | 504769601 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769601 |
| Canonical Smiles | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].O.[Na+] |
| IUPAC Name | sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate |
| InChIKey | OWEXQJSSKQXXSX-UHFFFAOYSA-M |
| INCHI | 1S/C12H12N2O3.Na.H2O/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;;/h4-6H,3H2,1-2H3,(H,16,17);;1H2/q;+1;/p-1 |
| Isomeric SMILES | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].O.[Na+] |
| Molecular Weight | 272.23 |
| Reaxy-Rn | 17661200 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17661200&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 | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridine carboxylic acids and derivatives |
| Alternative Parents | Pyridinecarboxylic acids Methylpyridines Vinylogous amides Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methylpyridine - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group. |
| External Descriptors | Not available |
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| Solubility | Soluble in water |
|---|---|
| Molecular Weight | 272.230 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 272.077 Da |
| Monoisotopic Mass | 272.077 Da |
| Topological Polar Surface Area | 74.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| 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 | 3 |