≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763783 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763783 |
| 정식 스마일 | CCOC(=O)C=CC1=CC=C(C=C1)C#N |
| IUPAC Name | ethyl (E)-3-(4-cyanophenyl)prop-2-enoate |
| InChIKey | NVLBOCIUMFYPGI-BQYQJAHWSA-N |
| INCHI | 1S/C12H11NO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-8H,2H2,1H3/b8-7+ |
| 이성체 SMILES | CCOC(=O)/C=C/C1=CC=C(C=C1)C#N |
| 분자량 | 201.23 |
| Reaxy-Rn | 1957110 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1957110&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 |
| 분류 | Cinnamic acids and derivatives |
| Subclass | Cinnamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acid esters |
| Alternative Parents | Styrenes Benzonitriles Fatty acid esters Enoate esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid ester - Benzonitrile - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 G2311174 | Certificate of Analysis | Jun 15, 2022 | E156282 |
| H2206572 | Certificate of Analysis | Jun 15, 2022 | E156282 |
| H2206575 | Certificate of Analysis | Jun 15, 2022 | E156282 |
| H2206576 | Certificate of Analysis | Jun 15, 2022 | E156282 |
| 용해성 | Soluble in Methanol |
|---|---|
| 녹는점(°C) | 70 °C |
| 분자량 | 201.220 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 201.079 Da |
| Monoisotopic Mass | 201.079 Da |
| Topological Polar Surface Area | 50.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
