Cas no 2901-41-9 (Benzeneacetic acid,4-methoxy-a-methyl-, ethyl ester)

Benzeneacetic acid,4-methoxy-a-methyl-, ethyl ester structure
2901-41-9 structure
Product Name:Benzeneacetic acid,4-methoxy-a-methyl-, ethyl ester
CAS No:2901-41-9
MF:C12H16O3
MW:208.253643989563
CID:288509
PubChem ID:257575
Update Time:2025-04-19

Benzeneacetic acid,4-methoxy-a-methyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid,4-methoxy-a-methyl-, ethyl ester
    • ethyl 2-(4-methoxyphenyl)propanoate
    • (+-)-2-< 4-Methoxy-phenyl> -propionsaeure-aethylester
    • (E)-ethyl 5-(4-methoxyphenyl)-3-oxopent-4-enoate
    • 2-(4-Methoxy-phenyl)-propionsaeure-aethylester
    • 2-< 4-Methoxy-phenyl> -propionsaeure-aethylester
    • 4-Pentenoic acid,
    • 5-(4-Methoxy-phenyl)-3-oxo-pent-4-ensaeure-aethylester
    • CTK2G7246
    • ethyl (E)-5-(4-methoxyphenyl)-3-oxopent-4-enoate
    • ethyl 2-(4-methoxybenzylidene)-acetoacetate
    • ethyl 5-(4-methoxyphenyl)-3-oxo-4-pentenoate
    • NSC85711
    • GGWHMTMLIFDQOU-UHFFFAOYSA-N
    • SCHEMBL490908
    • ethyl 2-(4-methoxy-phenyl)propionate
    • DTXSID80964676
    • NSC-85711
    • 2901-41-9
    • Inchi: 1S/C12H16O3/c1-4-15-12(13)9(2)10-5-7-11(14-3)8-6-10/h5-9H,4H2,1-3H3
    • InChI Key: GGWHMTMLIFDQOU-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C)C1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 208.10998
  • Monoisotopic Mass: 208.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
  • LogP: 2.36180
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