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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-methyl-1H-indole-5-carboxylic acid - ≥96% , CAS No.496946-80-6
Synonyms
EN300-87386 | SY104782 | DTXSID30616395 | SB14913 | WUA94680 | AKOS000346209 | DS-9193 | methyl 5-carboxy indole | AMY9412 | I10098 | SCHEMBL1105989 | 2-methyl-1H-indole-5-carboxylicacid | 2-methyl-1H-indole-5-carboxylic acid | MFCD07440342 | STRAEOQKYFMD
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Why this grade ≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
EN300-87386 | SY104782 | DTXSID30616395 | SB14913 | WUA94680 | AKOS000346209 | DS-9193 | methyl 5-carboxy indole | AMY9412 | I10098 | SCHEMBL1105989 | 2-methyl-1H-indole-5-carboxylicacid | 2-methyl-1H-indole-5-carboxylic acid | MFCD07440342 | STRAEOQKYFMD
Specifications & Purity
≥96%
Names and Identifiers Canonical Smiles CC1=CC2=C(N1)C=CC(=C2)C(=O)O IUPAC Name 2-methyl-1H-indole-5-carboxylic acid InChIKey STRAEOQKYFMDMG-UHFFFAOYSA-N INCHI 1S/C10H9NO2/c1-6-4-8-5-7(10(12)13)2-3-9(8)11-6/h2-5,11H,1H3,(H,12,13) Isomeric SMILES CC1=CC2=C(N1)C=CC(=C2)C(=O)O Alternate CAS 496946-80-6 PubChem CID 21622232 Molecular Weight 175.19
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 Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid - Indole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid derivative - Carboxylic acid - 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 175.180 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 175.063 Da Monoisotopic Mass 175.063 Da Topological Polar Surface Area 53.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 217.000 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
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