Cas no 1517730-12-9 (3-Thiopheneacetic acid, tetrahydro-α-methyl-)

3-Thiopheneacetic acid, tetrahydro-α-methyl- structure
1517730-12-9 structure
Product Name:3-Thiopheneacetic acid, tetrahydro-α-methyl-
CAS No:1517730-12-9
MF:C7H12O2S
MW:160.233981132507
CID:5296371
PubChem ID:82596139
Update Time:2024-03-01

3-Thiopheneacetic acid, tetrahydro-α-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Thiopheneacetic acid, tetrahydro-α-methyl-
    • Inchi: 1S/C7H12O2S/c1-5(7(8)9)6-2-3-10-4-6/h5-6H,2-4H2,1H3,(H,8,9)
    • InChI Key: ZGZSXVRLQNAKIE-UHFFFAOYSA-N
    • SMILES: C(C1CSCC1)(C)C(=O)O

Computed Properties

  • Exact Mass: 160.05580079g/mol
  • Monoisotopic Mass: 160.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 136
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 62.6?2

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