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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items methyl 4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-2-carboxylate - ≥97% , CAS No.1041430-21-0
Synonyms
1041430-21-0 | methyl 4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-2-carboxylate | DTXSID80731209 | SCHEMBL1004484 | P19614 | Methyl4-oxo-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate | Methyl 4-oxo-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate |
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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
1041430-21-0 | methyl 4-oxo-1H, 4H, 5H, 6H-cyclopenta[b]pyrrole-2-carboxylate | DTXSID80731209 | SCHEMBL1004484 | P19614 | Methyl4-oxo-1, 4, 5, 6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate | Methyl 4-oxo-1, 4, 5, 6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas COC(=O)C1=CC2=C(N1)CCC2=O IUPAC Name methyl 4-oxo-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate InChIKey PIGXMHQRVXEDIW-UHFFFAOYSA-N INCHI 1S/C9H9NO3/c1-13-9(12)7-4-5-6(10-7)2-3-8(5)11/h4,10H,2-3H2,1H3 Isómeros SMILES COC(=O)C1=CC2=C(N1)CCC2=O CAS alternativo 1041430-21-0 PubChem CID 59180145 Peso molecular 179.18
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 Organic oxygen compounds Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones Direct Parent Aryl alkyl ketones Alternative Parents Pyrrole carboxylic acids and derivatives Substituted pyrroles Vinylogous amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrrole-2-carboxylic acid or derivatives - Aryl alkyl ketone - Substituted pyrrole - Pyrrole - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 179.170 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 179.058 Da Monoisotopic Mass 179.058 Da Topological Polar Surface Area 59.200 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 251.000 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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