Ethyl 3-methoxyphenylacetate - ≥98% , CAS No.35553-92-5

CAS: 35553-92-5 Cat. No.: E183981 Fórmula: C₁₁H₁₄O₃ Peso molecular: 194.23

GRADE & PURITY ≥98%

Synonyms

XXVVNHCWPHMLEZ-UHFFFAOYSA-N | ethyl 2-(3-methoxyphenyl)acetate | ETHYL (3-METHOXYPHENYL)ACETATE | AKOS008951240 | Z54530332 | A822868 | PS-4175 | J-520604 | SCHEMBL511950 | DTXSID00189041 | Ethyl 3-methoxyphenylacetate | MFCD00026897 | 3-methoxyphenylacet

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

XXVVNHCWPHMLEZ-UHFFFAOYSA-N | ethyl 2-(3-methoxyphenyl)acetate | ETHYL (3-METHOXYPHENYL)ACETATE | AKOS008951240 | Z54530332 | A822868 | PS-4175 | J-520604 | SCHEMBL511950 | DTXSID00189041 | Ethyl 3-methoxyphenylacetate | MFCD00026897 | 3-methoxyphenylacet

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488193616

Sonrisas canónicas

CCOC(=O)CC1=CC(=CC=C1)OC

IUPAC Name

ethyl 2-(3-methoxyphenyl)acetate

InChIKey

XXVVNHCWPHMLEZ-UHFFFAOYSA-N

INCHI

1S/C11H14O3/c1-3-14-11(12)8-9-5-4-6-10(7-9)13-2/h4-7H,3,8H2,1-2H3

Isómeros SMILES

CCOC(=O)CC1=CC(=CC=C1)OC

Peso molecular

194.23

Reaxy-Rn

2094347

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094347&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - 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 anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Sensibilidad: air sensitive
• Punto de ebullición (°C): 109-110°/1mm Hg
• Peso molecular: 194.230 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 179.000
• 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