Cas no 16726-92-4 (1,2-Ethanediol, 1-(1-naphthalenyl)-, 2-(4-methylbenzenesulfonate), (R)-)

1,2-Ethanediol, 1-(1-naphthalenyl)-, 2-(4-methylbenzenesulfonate), (R)- structure
16726-92-4 structure
Product Name:1,2-Ethanediol, 1-(1-naphthalenyl)-, 2-(4-methylbenzenesulfonate), (R)-
CAS No:16726-92-4
MF:C19H18O4S
MW:342.408824443817
CID:1355502
Update Time:2024-08-17

1,2-Ethanediol, 1-(1-naphthalenyl)-, 2-(4-methylbenzenesulfonate), (R)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol, 1-(1-naphthalenyl)-, 2-(4-methylbenzenesulfonate), (R)-
    • 1,2-Ethanediol, 1-(1-naphthalenyl)-, 2-(4-methylbenzenesulfonate), (R)- (9CI)
    • Inchi: 1S/C19H18O4S/c1-14-9-11-16(12-10-14)24(21,22)23-13-19(20)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19-20H,13H2,1H3/t19-/m0/s1
    • InChI Key: NNQHZHAXHUPVOQ-IBGZPJMESA-N
    • SMILES: [C@H](C1=C2C(C=CC=C2)=CC=C1)(O)COS(C1=CC=C(C)C=C1)(=O)=O

Computed Properties

  • Exact Mass: 342.09264

Experimental Properties

  • Density: 1.299±0.06 g/cm3(Predicted)
  • Boiling Point: 562.8±45.0 °C(Predicted)
  • PSA: 63.6
  • pka: 12.81±0.20(Predicted)
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