Cas no 765302-51-0 (Benzeneacetic acid,4-ethyl-3-methoxy-, ethyl ester)

Benzeneacetic acid,4-ethyl-3-methoxy-, ethyl ester structure
765302-51-0 structure
Product Name:Benzeneacetic acid,4-ethyl-3-methoxy-, ethyl ester
CAS No:765302-51-0
MF:C13H18O3
MW:222.280224323273
CID:550649
PubChem ID:21079761
Update Time:2025-04-19

Benzeneacetic acid,4-ethyl-3-methoxy-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid,4-ethyl-3-methoxy-, ethyl ester
    • Benzeneacetic acid, 4-ethyl-3-methoxy-, ethyl ester (9CI)
    • SCHEMBL3229106
    • ethyl 2-(4-ethyl-3-methoxyphenyl)acetate
    • ethyl 4-ethyl-3-methoxyphenylacetate
    • 765302-51-0
    • XHEZSVGUFAWBOF-UHFFFAOYSA-N
    • Inchi: 1S/C13H18O3/c1-4-11-7-6-10(8-12(11)15-3)9-13(14)16-5-2/h6-8H,4-5,9H2,1-3H3
    • InChI Key: XHEZSVGUFAWBOF-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C=CC=1CC)CC(=O)OCC

Computed Properties

  • Exact Mass: 222.126
  • Monoisotopic Mass: 222.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 215
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 35.5A^2
  • XLogP3: 2.8
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