Methyl 3-(5-methoxypyridin-3-yl)acrylate - ≥98% , CAS No.1000896-01-4

CAS: 1000896-01-4 Cat. No.: M165332 Peso molecular: 193.2

GRADE & PURITY ≥98%

Synonyms

(E)-Methyl 3-(5-methoxypyridin-3-yl)acrylate | AKOS006345055 | methyl (E)-3-(5-methoxypyridin-3-yl)prop-2-enoate | WRAKFCLGWVROJC-ONEGZZNKSA-N | Methyl3-(5-methoxypyridin-3-yl)acrylate | Methyl 3-(5-methoxypyridin-3-yl)acrylate, AldrichCPR | (E)-Methyl3-(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(E)-Methyl 3-(5-methoxypyridin-3-yl)acrylate | AKOS006345055 | methyl (E)-3-(5-methoxypyridin-3-yl)prop-2-enoate | WRAKFCLGWVROJC-ONEGZZNKSA-N | Methyl3-(5-methoxypyridin-3-yl)acrylate | Methyl 3-(5-methoxypyridin-3-yl)acrylate, AldrichCPR | (E)-Methyl3-(

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CN=CC(=C1)C=CC(=O)OC
• IUPAC Name: methyl (E)-3-(5-methoxypyridin-3-yl)prop-2-enoate
• InChIKey: WRAKFCLGWVROJC-ONEGZZNKSA-N
• INCHI: 1S/C10H11NO3/c1-13-9-5-8(6-11-7-9)3-4-10(12)14-2/h3-7H,1-2H3/b4-3+
• Isómeros SMILES: COC1=CN=CC(=C1)/C=C/C(=O)OC
• WGK Alemania: 3
• Peso molecular: 193.2
• Reaxy-Rn: 15606040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15606040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Fatty acid esters Pyridines and derivatives Methyl esters Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Fatty acid ester - Pyridine - Fatty acyl - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 193.200 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 215.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1