Cas no 17178-08-4 (2-Methoxyethyl benzenesulfonate)

2-Methoxyethyl benzenesulfonate structure
17178-08-4 structure
Product Name:2-Methoxyethyl benzenesulfonate
CAS No:17178-08-4
MF:C9H12O4S
MW:216.254181861877
CID:122154
PubChem ID:11195284
Update Time:2025-04-18

2-Methoxyethyl benzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • 2-Methoxyethyl benzenesulfonate
    • ETHANOL, 2-METHOXY-, 1-BENZENESULFONATE
    • MFCD09839692
    • AKOS022181790
    • SCHEMBL3911054
    • 17178-08-4
    • 2-methoxyethyl benzenesulphonate
    • DTXSID60458346
    • HAHSSWKSMRLGHG-UHFFFAOYSA-N
    • 2-METHOXYETHYLBENZENESULFONATE
    • Inchi: 1S/C9H12O4S/c1-12-7-8-13-14(10,11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
    • InChI Key: HAHSSWKSMRLGHG-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(=O)(=O)OCCOC

Computed Properties

  • Exact Mass: 216.04566
  • Monoisotopic Mass: 216.04563003g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 236
  • 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: 1.1
  • Topological Polar Surface Area: 61?2

Experimental Properties

  • PSA: 52.6
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