≥97% 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.
| Canonical Smiles | CC(=O)C1=CC(=C(C=C1O)NC(=O)C)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-(4-acetyl-5-hydroxy-2-nitrophenyl)acetamide |
| InChIKey | LWTSKMDGAXLZJJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H10N2O5/c1-5(13)7-3-9(12(16)17)8(4-10(7)15)11-6(2)14/h3-4,15H,1-2H3,(H,11,14) |
| Isomeric SMILES | CC(=O)C1=CC(=C(C=C1O)NC(=O)C)[N+](=O)[O-] |
| Molecular Weight | 238.2 |
| Reaxy-Rn | 2144225 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2144225&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Acetanilides Nitrophenols Acetophenones N-acetylarylamines Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acetanilide - Nitrophenol - Acetophenone - Nitrobenzene - Anilide - N-acetylarylamine - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Acetamide - Vinylogous acid - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 238.200 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.059 Da |
| Monoisotopic Mass | 238.059 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 338.000 |
| 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 |
