≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Sonrisas canónicas | CCOC(=O)C1CCC2=CC=CC=C2C1=O |
|---|---|
| IUPAC Name | ethyl 1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate |
| InChIKey | DOKKVPGOHCOXLC-UHFFFAOYSA-N |
| INCHI | 1S/C13H14O3/c1-2-16-13(15)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11H,2,7-8H2,1H3 |
| Isómeros SMILES | CCOC(=O)C1CCC2=CC=CC=C2C1=O |
| CAS alternativo | 6742-26-3 |
| PubChem CID | 251472 |
| Número NSC | 71870 |
| Peso molecular | 218.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenecarboxylic acids |
| Alternative Parents | Tetralins Aryl alkyl ketones 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalenecarboxylic acid - Tetralin - Aryl alkyl ketone - Aryl ketone - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 218.250 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 218.094 Da |
| Monoisotopic Mass | 218.094 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
E2417409