Cas no 179057-51-3 (Pentanoic acid, 5-(phenylsulfonyl)-)

Pentanoic acid, 5-(phenylsulfonyl)- structure
179057-51-3 structure
Product Name:Pentanoic acid, 5-(phenylsulfonyl)-
CAS No:179057-51-3
MF:C11H14O4S
MW:242.291462421417
CID:1365927
Update Time:2024-08-14

Pentanoic acid, 5-(phenylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 5-(phenylsulfonyl)-
    • Inchi: 1S/C11H14O4S/c12-11(13)8-4-5-9-16(14,15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
    • InChI Key: YAPMMTHIIQCMGD-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CCCCS(C1=CC=CC=C1)(=O)=O

Computed Properties

  • Exact Mass: 242.06132

Experimental Properties

  • Density: 1.262±0.06 g/cm3(Predicted)
  • Boiling Point: 474.7±37.0 °C(Predicted)
  • PSA: 71.44
  • pka: 4.62±0.10(Predicted)
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