≥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.
| Canonical Smiles | CCOC(=O)C=CC1=CNC2=CC=CC=C21 |
|---|---|
| IUPAC Name | ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate |
| InChIKey | OQJSITNIWIYWPU-BQYQJAHWSA-N |
| INCHI | 1S/C13H13NO2/c1-2-16-13(15)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-9,14H,2H2,1H3/b8-7+ |
| Isomeric SMILES | CCOC(=O)/C=C/C1=CNC2=CC=CC=C21 |
| Molecular Weight | 215.25 |
| Reaxy-Rn | 476317 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=476317&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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Fatty acid esters Substituted pyrroles Benzenoids Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Fatty acid ester - Substituted pyrrole - Benzenoid - Fatty acyl - Pyrrole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| 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 |
|---|---|---|---|
 H2505295 | Certificate of Analysis | Jul 21, 2025 | E299941 |
| H2511741 | Certificate of Analysis | Jul 21, 2025 | E299941 |
| H2511753 | Certificate of Analysis | Jul 21, 2025 | E299941 |
| G2508669 | Certificate of Analysis | Apr 13, 2024 | E299941 |
| Melt Point(°C) | 120-121° C |
|---|---|
| Molecular Weight | 215.250 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 215.095 Da |
| Monoisotopic Mass | 215.095 Da |
| Topological Polar Surface Area | 42.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 275.000 |
| 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 |
