Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
Maximum Absorption Wavelength:350(EtOH)nm
| Pubchem Sid | 488191140 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191140 |
| Kanonisches Lächeln | COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3 |
| IUPAC Name | 1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione |
| InChIKey | XTLSKKJNOIMMBK-UHFFFAOYSA-N |
| INCHI | 1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| Isomere SMILES | COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3 |
| RTECS | TZ1955000 |
| PubChem CID | 689051 |
| UN-Nummer | 3077 |
| Verpackungsgruppe | III |
| Molekulargewicht | 294.31 |
| Reaxy-Rn | 26565 |
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 | Phenylpropanoids and polyketides |
| Klasse | Linear 1,3-diarylpropanoids |
| Subclass | Chalcones and dihydrochalcones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Retro-dihydrochalcones |
| Alternative Parents | Alkyl-phenylketones Butyrophenones Benzofurans Benzoyl derivatives Aryl alkyl ketones Anisoles Beta-diketones Alkyl aryl ethers Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzofuran - Anisole - Benzoyl - Aryl alkyl ketone - Aryl ketone - 1,3-diketone - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Furan - Heteroaromatic compound - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. |
| External Descriptors | Chalcones and dihydrochalcones |
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| Empfindlichkeit | Light Sensitive |
|---|---|
| Schmelzpunkt (°C) | 128 °C |
| Molekulargewicht | 294.300 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 294.089 Da |
| Monoisotopic Mass | 294.089 Da |
| Topological Polar Surface Area | 56.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 413.000 |
| 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 |