≥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.
Usually used as reactants for demethylation reactions using ionic liquids under microwave irradiation,preparation of pyrazinoindoledione via Ugi reaction and microwave-assisted cyclization,preparation of isoquinolinecarboxamides and their derivatives as opioid receptor antagonists,preparation of acylaminoalkylindoles as MT2-selective melatonin antagonists;And also used in the synthetic intermediate for preparation of indole fatty alcohol derivatives.
| Pubchem Sid | 488189691 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189691 |
| Canonical Smiles | COC1=CC2=C(C=C1)C=C(N2)C(=O)O |
| IUPAC Name | 6-methoxy-1H-indole-2-carboxylic acid |
| InChIKey | XNBGANWAZJWOHS-UHFFFAOYSA-N |
| INCHI | 1S/C10H9NO3/c1-14-7-3-2-6-4-9(10(12)13)11-8(6)5-7/h2-5,11H,1H3,(H,12,13) |
| Isomeric SMILES | COC1=CC2=C(C=C1)C=C(N2)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 191.18 |
| Reaxy-Rn | 156983 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156983&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 | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | Indoles Pyrrole 2-carboxylic acids Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - Indole - Anisole - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| 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 |
|---|---|---|---|
 D2424310 | Certificate of Analysis | Apr 10, 2024 | M128092 |
| D2424311 | Certificate of Analysis | Apr 10, 2024 | M128092 |
| L1511132 | Certificate of Analysis | Aug 01, 2023 | M128092 |
| G2329430 | Certificate of Analysis | Jun 17, 2023 | M128092 |
| G2329433 | Certificate of Analysis | Jun 17, 2023 | M128092 |
| G2329434 | Certificate of Analysis | Jun 17, 2023 | M128092 |
| G2329441 | Certificate of Analysis | Jun 17, 2023 | M128092 |
| G2329444 | Certificate of Analysis | Jun 17, 2023 | M128092 |
| G2329449 | Certificate of Analysis | Jun 17, 2023 | M128092 |
| Solubility | DMSO (Slightly) |
|---|---|
| Melt Point(°C) | 198-203°C |
| Molecular Weight | 191.180 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 191.058 Da |
| Monoisotopic Mass | 191.058 Da |
| Topological Polar Surface Area | 62.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |
