Cas no 4547-58-4 (ethyl (4-butoxyphenyl)acetate)

ethyl (4-butoxyphenyl)acetate structure
ethyl (4-butoxyphenyl)acetate structure
Product Name:ethyl (4-butoxyphenyl)acetate
CAS No:4547-58-4
MF:C14H20O3
MW:236.306804656982
CID:929949
PubChem ID:78305
Update Time:2025-04-19

ethyl (4-butoxyphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • ethyl (4-butoxyphenyl)acetate
    • ethyl 2-(4-butoxyphenyl)acetate
    • 4547-58-4
    • SCHEMBL7484161
    • ethyl(4-butoxyphenyl)acetate
    • Ethyl 4-butoxyphenylacetate
    • DTXSID60196519
    • EINECS 224-905-7
    • ethyl 2-(4-n-butoxyphenyl)acetate
    • NS00031535
    • DB-129910
    • Inchi: 1S/C14H20O3/c1-3-5-10-17-13-8-6-12(7-9-13)11-14(15)16-4-2/h6-9H,3-5,10-11H2,1-2H3
    • InChI Key: PUIBRHJUTVHVPI-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)CC(=O)OCC)CCCC

Computed Properties

  • Exact Mass: 236.1413
  • Monoisotopic Mass: 236.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 208
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.3
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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