≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CC(=O)C(=O)OC1=CC=CC=C1C(=O)O |
|---|---|
| IUPAC Name | 2-(2-oxopropanoyloxy)benzoic acid |
| InChIKey | ULWCDKMLERRCJA-UHFFFAOYSA-N |
| INCHI | 1S/C10H8O5/c1-6(11)10(14)15-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,12,13) |
| Isómeros SMILES | CC(=O)C(=O)OC1=CC=CC=C1C(=O)O |
| PubChem CID | 44186792 |
| Peso molecular | 208.17 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Acylsalicylic acids and derivatives |
| Direct Parent | Acylsalicylic acids |
| Alternative Parents | Phenol esters Benzoic acids Phenoxy compounds Benzoyl derivatives Alpha-keto acids and derivatives Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylsalicylic acid - Phenol ester - Benzoic acid - Phenoxy compound - Benzoyl - Alpha-keto acid - Keto acid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as acylsalicylic acids. These are o-acylated derivatives of salicylic acid. |
| External Descriptors | Not available |
| Peso molecular | 208.170 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.037 Da |
| Monoisotopic Mass | 208.037 Da |
| Topological Polar Surface Area | 80.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| 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 |
