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

CAS: 35553-92-5 Cat. No.: E183981 Formule: C₁₁H₁₄O₃ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488193616

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Point d'ébullition (°C): 109-110°/1mm Hg
• Poids moléculaire: 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