for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COC(=O)C1=C(C(=C(C1=O)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate |
| InChIKey | NTXFYWYVVGMAGT-UHFFFAOYSA-N |
| INCHI | 1S/C21H16O5/c1-25-20(23)17-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)18(19(17)22)21(24)26-2/h3-12H,1-2H3 |
| Isómeros SMILES | COC(=O)C1=C(C(=C(C1=O)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3 |
| Peso molecular | 348.35 |
| Reaxy-Rn | 2304512 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2304512&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 | Phenylpropanoids and polyketides |
| Clase | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Cinnamic acid esters Dicarboxylic acids and derivatives Benzene and substituted derivatives Methyl esters Enoate esters Cyclic ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Stilbene - Cinnamic acid or derivatives - Cinnamic acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Ketone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
| Peso molecular | 348.300 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 348.1 Da |
| Monoisotopic Mass | 348.1 Da |
| Topological Polar Surface Area | 69.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 602.000 |
| 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 |
