Cas no 34124-56-6 (2-(4-Mercaptophenyl)propionic acid)

2-(4-Mercaptophenyl)propionic acid structure
34124-56-6 structure
Product Name:2-(4-Mercaptophenyl)propionic acid
CAS No:34124-56-6
MF:C9H10O2S
MW:182.239501476288
CID:2944424
Update Time:2023-08-10

2-(4-Mercaptophenyl)propionic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-mercaptophenyl)propionic acid
    • 4-Mercaptophenylpropanoic acid
    • 2-(4-Mercaptophenyl)propionic acid
    • Inchi: 1S/C9H10O2S/c1-6(9(10)11)7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H,10,11)
    • InChI Key: HLWUKJUOPQJDOL-UHFFFAOYSA-N
    • SMILES: SC1C=CC(=CC=1)C(C(=O)O)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 162
  • XLogP3: 2.1
  • Topological Polar Surface Area: 38.3
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