Cas no 32376-95-7 (Benzenesulfonic acid, 2-phenylethyl ester)

Benzenesulfonic acid, 2-phenylethyl ester structure
32376-95-7 structure
Product Name:Benzenesulfonic acid, 2-phenylethyl ester
CAS No:32376-95-7
MF:C14H14O3S
MW:262.324162960052
CID:1454813
PubChem ID:12759823
Update Time:2025-04-20

Benzenesulfonic acid, 2-phenylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid, 2-phenylethyl ester
    • 2-phenylethyl benzenesulfonate
    • SCHEMBL2476597
    • DTXSID60509180
    • 32376-95-7
    • Inchi: 1S/C14H14O3S/c15-18(16,14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
    • InChI Key: LVAVWJHMTPWHSU-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(=O)(=O)OCCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 262.06642
  • Monoisotopic Mass: 262.06636548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 319
  • 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
  • XLogP3: 3.2
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 43.37
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