Methyl 6-methoxybenzofuran-2-carboxylate - ≥95% , CAS No.55364-67-5

CAS: 55364-67-5 Cat. No.: M185181 Peso molecular: 206.2

GRADE & PURITY ≥95%

Synonyms

methyl 6-methoxybenzofuran-2-carboxylate|55364-67-5|methyl 6-methoxy-1-benzofuran-2-carboxylate|Methyl 6-methoxy-2-benzofurancarboxylate|MFCD11975070|2-Benzofurancarboxylic acid, 6-methoxy-, methyl ester|EINECS 259-614-4|Methyl6-Methoxybenzofuran-2-carbox

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

methyl 6-methoxybenzofuran-2-carboxylate | 55364-67-5 | methyl 6-methoxy-1-benzofuran-2-carboxylate | Methyl 6-methoxy-2-benzofurancarboxylate | MFCD11975070 | 2-Benzofurancarboxylic acid, 6-methoxy-, methyl ester | EINECS 259-614-4 | Methyl6-Methoxybenzofuran-2-carbox

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC2=C(C=C1)C=C(O2)C(=O)OC
• IUPAC Name: methyl 6-methoxy-1-benzofuran-2-carboxylate
• InChIKey: XSWDPIQGBIWAPT-UHFFFAOYSA-N
• INCHI: 1S/C11H10O4/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-6H,1-2H3
• Isómeros SMILES: COC1=CC2=C(C=C1)C=C(O2)C(=O)OC
• Peso molecular: 206.2
• Reaxy-Rn: 1244631
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1244631&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Furoic acid esters Anisoles Alkyl aryl ethers Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furoic acid ester - Benzofuran - Furoic acid or derivatives - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Methyl ester - Furan - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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: 206.190 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 206.058 Da
• Monoisotopic Mass: 206.058 Da
• Topological Polar Surface Area: 48.700 Ų
• Heavy Atom Count: 15
• 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