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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(p-Carboxyphenyl)propionic Acid Dimethyl Ester - ≥98% , CAS No.40912-11-6
Synonyms
3-(4-Carboxyphenyl)propionic Acid Dimethyl Ester | 3-(4-Methoxycarbonylphenyl)propionic Acid Methyl Ester | Methyl 4-(3-methoxy-3-oxopropyl)benzoate | Methyl 4-(3-methoxy-3-oxopropyl)benzoate # | D83096 | Benzenepropanoic acid, 4-(methoxycarbonyl)-, methy
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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.
Descripción general application
A benzoic acid derivative used in the preparation of potent, selective, orally bioavailable matrix metalloproteinase inhibitors.
Specifications Sinónimos
3-(4-Carboxyphenyl)propionic Acid Dimethyl Ester | 3-(4-Methoxycarbonylphenyl)propionic Acid Methyl Ester | Methyl 4-(3-methoxy-3-oxopropyl)benzoate | Methyl 4-(3-methoxy-3-oxopropyl)benzoate # | D83096 | Benzenepropanoic acid, 4-(methoxycarbonyl)-, methy
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Pubchem Sid 504759434 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759434 Sonrisas canónicas COC(=O)CCC1=CC=C(C=C1)C(=O)OC IUPAC Name methyl 4-(3-methoxy-3-oxopropyl)benzoate InChIKey MLKXCCLYRPKSBM-UHFFFAOYSA-N INCHI 1S/C12H14O4/c1-15-11(13)8-5-9-3-6-10(7-4-9)12(14)16-2/h3-4,6-7H,5,8H2,1-2H3 Isómeros SMILES COC(=O)CCC1=CC=C(C=C1)C(=O)OC PubChem CID 595759 Peso molecular 222.24 Reaxy-Rn 2619384
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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Benzoyl derivatives Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzoyl - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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 Solubilidad SolubilityDichloromethane, Ethyl Acetate Sensibilidad Heat Sensitive Punto de fusión (°C) 33 °C Peso molecular 222.240 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 6 Exact Mass 222.089 Da Monoisotopic Mass 222.089 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 241.000 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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