≥98%(GC) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Reactant involved in synthesis of:cyclometalated iridium complexes for photophysical and electrochemical studies,hydroimidazothiazoles via iodination and cyclization reactions.Reactant involved in Sonogashira coupling reactions,Allylation of aromatic aldehydes using imidazole oside catalysts,Beckmann rearrangement of α-oximinoketones.Reagent used in the colorimetric determination of urea.
| Canonical Smiles | CC(=NO)C(=O)C1=CC=CC=C1 |
|---|---|
| IUPAC Name | (2E)-2-hydroxyimino-1-phenylpropan-1-one |
| InChIKey | YPINLRNGSGGJJT-JXMROGBWSA-N |
| INCHI | 1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3/b10-7+ |
| Isomeric SMILES | C/C(=N\O)/C(=O)C1=CC=CC=C1 |
| WGK Germany | 2 |
| RTECS | UH2975000 |
| Molecular Weight | 163.18 |
| Beilstein | 7(4)2143 |
| Reaxy-Rn | 509304 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509304&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 | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Benzoyl derivatives Aryl ketones Ketoximes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Aryl ketone - Benzoyl - Ketoxime - Ketone - Oxime - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2229126 | Certificate of Analysis | May 19, 2026 | I157593 |
| K2418068 | Certificate of Analysis | Nov 21, 2024 | I157593 |
| K2418302 | Certificate of Analysis | Apr 01, 2024 | I157593 |
| F1913277 | Certificate of Analysis | Apr 11, 2023 | I157593 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 114 °C |
| Molecular Weight | 163.170 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 163.063 Da |
| Monoisotopic Mass | 163.063 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Li-Li Ye, Meng-Yue Yang, Xiang-Hai Cai. (2025) Eight new gelsedine-type oxindole alkaloids from Gelsemium elegans. FITOTERAPIA, [PMID:40446934] [10.1016/j.fitote.2025.106644] |
