Cas no 81842-71-9 (3-Hydroxypropyl 4-methylbenzenesulfonate)

3-Hydroxypropyl 4-methylbenzenesulfonate structure
81842-71-9 structure
Product Name:3-Hydroxypropyl 4-methylbenzenesulfonate
CAS No:81842-71-9
MF:C10H14O4S
MW:230.280762195587
CID:702800
Update Time:2023-08-03

3-Hydroxypropyl 4-methylbenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol, mono(4-methylbenzenesulfonate)
    • 3-hydroxypropyl 4-methylbenzenesulfonate
    • 3-Hydroxypropyltosylat
    • 3-(Tosyloxy)-1-propanol
    • 1,3-propanediol monotosylate
    • GMWFPSPTDMITFZ-UHFFFAOYSA-N
    • 1,3-propanediol mono-p-toluenesulfonate
    • 1,3-Propanediol, 1-(4-methylbenzenesulfonate)
    • toluene-4-sulfonic acid 3-hydroxy-propyl ester
    • 3-Hydroxypropyl 4-methylbenzenesulfonate
    • Inchi: 1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6,11H,2,7-8H2,1H3
    • InChI Key: GMWFPSPTDMITFZ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OCCCO

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 260
  • XLogP3: 1.1
  • Topological Polar Surface Area: 72

3-Hydroxypropyl 4-methylbenzenesulfonate Pricemore >>

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