Cas no 77821-44-4 (Propanoic acid, 3-(phenylsulfonyl)-, 3-methylphenyl ester)

Propanoic acid, 3-(phenylsulfonyl)-, 3-methylphenyl ester structure
77821-44-4 structure
Product Name:Propanoic acid, 3-(phenylsulfonyl)-, 3-methylphenyl ester
CAS No:77821-44-4
MF:C16H16O4S
MW:304.360843658447
CID:1789337
Update Time:2024-11-27

Propanoic acid, 3-(phenylsulfonyl)-, 3-methylphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3-(phenylsulfonyl)-, 3-methylphenyl ester
    • Inchi: 1S/C16H16O4S/c1-13-6-5-7-14(12-13)20-16(17)10-11-21(18,19)15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3
    • InChI Key: UNICDTQQSOGHRT-UHFFFAOYSA-N
    • SMILES: C(OC1=CC=CC(C)=C1)(=O)CCS(C1=CC=CC=C1)(=O)=O

Computed Properties

  • Exact Mass: 304.07698

Experimental Properties

  • Density: 1.237±0.06 g/cm3(Predicted)
  • Boiling Point: 498.0±37.0 °C(Predicted)
  • PSA: 60.44
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