≥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 | 488194450 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194450 |
| Canonical Smiles | COC1=CC2=C(C=C1)NC=C2CC#N |
| IUPAC Name | 2-(5-methoxy-1H-indol-3-yl)acetonitrile |
| InChIKey | ZBQCXEREMRGOCO-UHFFFAOYSA-N |
| INCHI | 1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3 |
| Isomeric SMILES | COC1=CC2=C(C=C1)NC=C2CC#N |
| WGK Germany | 3 |
| Molecular Weight | 186.21 |
| Reaxy-Rn | 163606 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=163606&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 | 3-alkylindoles |
| Alternative Parents | Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Anisole - Phenol ether - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| 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 |
|---|---|---|---|
 A2206285 | Certificate of Analysis | Oct 13, 2025 | M168955 |
| L1903162 | Certificate of Analysis | Sep 12, 2023 | M168955 |
| F2305371 | Certificate of Analysis | Mar 31, 2023 | M168955 |
| F2305372 | Certificate of Analysis | Mar 31, 2023 | M168955 |
| F2305374 | Certificate of Analysis | Mar 31, 2023 | M168955 |
| F2305375 | Certificate of Analysis | Mar 31, 2023 | M168955 |
| F2305376 | Certificate of Analysis | Mar 31, 2023 | M168955 |
| I2512052 | Certificate of Analysis | Mar 31, 2023 | M168955 |
| I2512054 | Certificate of Analysis | Mar 31, 2023 | M168955 |
| Melt Point(°C) | 65-69 °C |
|---|---|
| Molecular Weight | 186.210 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 186.079 Da |
| Monoisotopic Mass | 186.079 Da |
| Topological Polar Surface Area | 48.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 245.000 |
| 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 |
