≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated 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 | C1=CC=C(C=C1)C(=O)C(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;2-oxo-2-phenylacetate |
| InChIKey | GGDFZLZSWSCHFU-UHFFFAOYSA-M |
| INCHI | 1S/C8H6O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);/q;+1/p-1 |
| Isómeros SMILES | C1=CC=C(C=C1)C(=O)C(=O)[O-].[Na+] |
| PubChem CID | 23677814 |
| Peso molecular | 172.11 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Aryl ketones Alpha-keto acids and derivatives Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoyl - Aryl ketone - Alpha-keto acid - Keto acid - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
| Peso molecular | 172.110 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 172.014 Da |
| Monoisotopic Mass | 172.014 Da |
| Topological Polar Surface Area | 57.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 173.000 |
| 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 | 2 |
