≥98% 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.
| ALogP | 0.4 |
|---|
| Sonrisas canónicas | CC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)N |
|---|---|
| IUPAC Name | 4-(3-oxobutanoylamino)benzamide |
| InChIKey | OSHMIKIYRAREFA-UHFFFAOYSA-N |
| INCHI | 1S/C11H12N2O3/c1-7(14)6-10(15)13-9-4-2-8(3-5-9)11(12)16/h2-5H,6H2,1H3,(H2,12,16)(H,13,15) |
| Isómeros SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)N |
| PubChem CID | 827196 |
| Peso molecular | 220.22 |
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 | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Benzamides Anilides N-arylamides Benzoyl derivatives Fatty amides 1,3-dicarbonyl compounds Secondary carboxylic acid amides Primary carboxylic acid amides Ketones Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Benzamide - Anilide - Benzoyl - N-arylamide - Fatty amide - Fatty acyl - 1,3-dicarbonyl compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
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| Peso molecular | 220.220 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 220.085 Da |
| Monoisotopic Mass | 220.085 Da |
| Topological Polar Surface Area | 89.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| 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 |
C2610613