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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items éster metílico del ácido 5-metilindol-3-carboxílico - ≥97% , CAS No.227960-12-5
Synonyms
DTXSID80374953 | SCHEMBL4240354 | SY058800 | 5-Methylindole-3-carboxylic acid methyl ester | 5-Methyl-1H-indole-3-carboxylic acid methyl ester | AS-62149 | methyl 5-methyl-1H-indole-3-carboxylate;Methyl 5-methylindole-3-carboxylate | MFCD02179412 | Methyl
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Why this grade ≥97% 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 Sinónimos
DTXSID80374953 | SCHEMBL4240354 | SY058800 | 5-Methylindole-3-carboxylic acid methyl ester | 5-Methyl-1H-indole-3-carboxylic acid methyl ester | AS-62149 | methyl 5-methyl-1H-indole-3-carboxylate;Methyl 5-methylindole-3-carboxylate | MFCD02179412 | Methyl
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504761562 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504761562 Sonrisas canónicas CC1=CC2=C(C=C1)NC=C2C(=O)OC IUPAC Name methyl 5-methyl-1H-indole-3-carboxylate InChIKey ZECAAQDHFZNFPB-UHFFFAOYSA-N INCHI 1S/C11H11NO2/c1-7-3-4-10-8(5-7)9(6-12-10)11(13)14-2/h3-6,12H,1-2H3 Isómeros SMILES CC1=CC2=C(C=C1)NC=C2C(=O)OC Peso molecular 189.21 Reaxy-Rn 8481021 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8481021&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 Clase Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxylic acids and derivatives Alternative Parents Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Vinylogous amides 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 derivative - Indole - Pyrrole-3-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound Descripción 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 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.
Estructura 3D Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 189.210 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 189.079 Da Monoisotopic Mass 189.079 Da Topological Polar Surface Area 42.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 229.000 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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