Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98.0% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | CC1=CC=CC=C1C#CC2=CC=C(C=C2)CCC(=O)O |
|---|---|
| IUPAC Name | 3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid |
| InChIKey | FODHWOBAQBTTFS-UHFFFAOYSA-N |
| INCHI | 1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20) |
| Isómeros SMILES | CC1=CC=CC=C1C#CC2=CC=C(C=C2)CCC(=O)O |
| WGK Alemania | 3 |
| PubChem CID | 25150014 |
| Peso molecular | 264.32 |
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 |
| Clase | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Toluenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Toluene - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 | |
| Certificate of Analysis | Dec 20, 2024 | T347380 |
| Solubilidad | DMSO: 50 mg/mL (189.16 mM)( < 1 mg/mL refers to the product slightly soluble or insoluble ) |
|---|---|
| Peso molecular | 264.300 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 264.115 Da |
| Monoisotopic Mass | 264.115 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 379.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →