≥95% 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.
| Pubchem Sid | 488195645 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195645 |
| Canonical Smiles | COC(=O)C=CC1=CC=C(C=C1)C=CC(=O)OC |
| IUPAC Name | methyl (E)-3-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate |
| InChIKey | IFNSXAJHSAPYLB-FIFLTTCUSA-N |
| INCHI | 1S/C14H14O4/c1-17-13(15)9-7-11-3-5-12(6-4-11)8-10-14(16)18-2/h3-10H,1-2H3/b9-7+,10-8+ |
| Isomeric SMILES | COC(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)OC |
| Molecular Weight | 246.26 |
| Reaxy-Rn | 2054453 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054453&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 |
| Class | Cinnamic acids and derivatives |
| Subclass | Cinnamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acid esters |
| Alternative Parents | Styrenes Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid ester - Styrene - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. |
| 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 |
|---|---|---|---|
 J2214703 | Certificate of Analysis | Jul 21, 2025 | D351112 |
| J2214514 | Certificate of Analysis | Jul 21, 2025 | D351112 |
| F2520231 | Certificate of Analysis | Jun 13, 2022 | D351112 |
| L2420377 | Certificate of Analysis | Jun 13, 2022 | D351112 |
| Molecular Weight | 246.260 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 246.089 Da |
| Monoisotopic Mass | 246.089 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
