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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl m-Anisate - ≥98%(GC) , CAS No.5368-81-0
Synonyms
Methyl 3-methoxybenzoate | Methyl m-anisate | STK095096 | N-tert-Butyloxycarbonyl-L-histidine | EINECS 226-359-5 | AS-11245 | m-Methoxybenzoic acid, methyl ester | Methyl ester of m-Methoxybenzoic acid | Methyl 3-methoxybenzoate, 97% | NSC 100922 | NSC-27
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Why this grade ≥98%(GC) 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
Methyl 3-methoxybenzoate | Methyl m-anisate | STK095096 | N-tert-Butyloxycarbonyl-L-histidine | EINECS 226-359-5 | AS-11245 | m-Methoxybenzoic acid, methyl ester | Methyl ester of m-Methoxybenzoic acid | Methyl 3-methoxybenzoate, 97% | NSC 100922 | NSC-27
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528776272
Sonrisas canónicas
COC1=CC=CC(=C1)C(=O)OC
IUPAC Name
methyl 3-methoxybenzoate
InChIKey
DUKYPQBGYRJVAN-UHFFFAOYSA-N
INCHI
1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
Isómeros SMILES
COC1=CC=CC(=C1)C(=O)OC
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208567&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Methoxybenzoic acids and derivatives Direct Parent M-methoxybenzoic acids and derivatives Alternative Parents Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents M-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Índice de refracción 1.53 Punto de ebullición (°C) 238°C(lit.) Peso molecular 166.170 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 166.063 Da Monoisotopic Mass 166.063 Da Topological Polar Surface Area 35.500 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 156.000 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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