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.
Ketoprofen-d3 has been used as a surrogate analytical standard for the determination of ketoprofen in sewage sludge samples by QuEChERS (quick, easy, cheap, effective, rugged and safe) extraction with on-line solid-phase extract purification and pre-concentration, followed by liquid chromatography-tandem mass spectrometry (LC-MS/MS).
It may be used as an analytical standard for the determination of ketoprofen in compost from sewage sludge by ultrasound-assisted extraction (UAE) and salt-assisted liquid–liquid extraction (SALLE), followed by ultrahigh performance liquid chromatography (UHPLC) coupled to MS/MS.
| Canonical Smiles | CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O |
|---|---|
| IUPAC Name | 2-(3-benzoylphenyl)-3,3,3-trideuteriopropanoic acid |
| InChIKey | DKYWVDODHFEZIM-FIBGUPNXSA-N |
| INCHI | 1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/i1D3 |
| Isomeric SMILES | [2H]C([2H])([2H])C(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O |
| Alternate CAS | 22071-15-4 unlabelled |
| Molecular Weight | 257.3 |
| Reaxy-Rn | 2216071 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216071&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Diphenylmethanes Aryl-phenylketones Phenylpropanoic acids Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzophenone - Aryl-phenylketone - Diphenylmethane - 2-phenylpropanoic-acid - Benzoyl - Aryl ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 257.300 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 257.113 Da |
| Monoisotopic Mass | 257.113 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 331.000 |
| Isotope Atom Count | 3 |
| 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 |
