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· · COA & SDS available for every product · Same-day shipping on in-stock items Indole-6-carboxylic Acid Methyl Ester - ≥98% , CAS No.50820-65-0
Synonyms
Z418671152 | A16067 | SCHEMBL145507 | SY002751 | InChI=1/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H | 1H-indole-6-carboxylic acid methyl ester | 1H-indole-6-carboxylic acid, methyl ester | M2042 | Indole-6-carboxylate | Indole-6-carboxylic ac
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Z418671152 | A16067 | SCHEMBL145507 | SY002751 | InChI=1/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6, 11H, 1H | 1H-indole-6-carboxylic acid methyl ester | 1H-indole-6-carboxylic acid, methyl ester | M2042 | Indole-6-carboxylate | Indole-6-carboxylic ac
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 488190892 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488190892 Canonical Smiles COC(=O)C1=CC2=C(C=C1)C=CN2 IUPAC Name methyl 1H-indole-6-carboxylate InChIKey AYYOZKHMSABVRP-UHFFFAOYSA-N INCHI 1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3 Isomeric SMILES COC(=O)C1=CC2=C(C=C1)C=CN2 WGK Germany 3 Molecular Weight 175.18 Beilstein 22(4)1080 Reaxy-Rn 141837 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141837&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxylic acids Alternative Parents Indoles Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid - Indole - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity air sensitive Melt Point(°C) 76-80°C Molecular Weight 175.180 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 175.063 Da Monoisotopic Mass 175.063 Da Topological Polar Surface Area 42.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 205.000 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
Citations of This Product References 1. Xiang Xu, Yi Shen, Yue Shu, Yong Guan, Dafu Wei. (2022) Synthesis and application of poly methyl indole-4-carboxylate with blue light blocking properties. EUROPEAN POLYMER JOURNAL, [PMID: [10.1016/j.eurpolymj.2022.111198 ]
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