Cas no 143766-54-5 (Heptanoic acid, 3-[(4-methylphenyl)sulfonyl]-)

Heptanoic acid, 3-[(4-methylphenyl)sulfonyl]- structure
143766-54-5 structure
Product Name:Heptanoic acid, 3-[(4-methylphenyl)sulfonyl]-
CAS No:143766-54-5
MF:C14H20O4S
MW:284.371203422546
CID:1313687
Update Time:2024-08-18

Heptanoic acid, 3-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid, 3-[(4-methylphenyl)sulfonyl]-
    • Inchi: 1S/C14H20O4S/c1-3-4-5-13(10-14(15)16)19(17,18)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,15,16)
    • InChI Key: NFDHWWWIXAIWCG-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CC(S(C1=CC=C(C)C=C1)(=O)=O)CCCC

Computed Properties

  • Exact Mass: 284.1083

Experimental Properties

  • Density: 1.177±0.06 g/cm3(Predicted)
  • Boiling Point: 480.4±45.0 °C(Predicted)
  • PSA: 71.44
  • pka: 3.86±0.10(Predicted)
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