Cas no 22988-53-0 (4-(5-Methylthiophen-2-yl)butanoic acid)

4-(5-Methylthiophen-2-yl)butanoic acid structure
22988-53-0 structure
Product Name:4-(5-Methylthiophen-2-yl)butanoic acid
CAS No:22988-53-0
MF:C9H12O2S
MW:184.255381584167
CID:2936024
PubChem ID:28744225
Update Time:2024-03-01

4-(5-Methylthiophen-2-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(5-methylthiophen-2-yl)butanoic acid
    • Z1350606445
    • 4-(5-Methylthiophen-2-yl)butanoic acid
    • Inchi: 1S/C9H12O2S/c1-7-5-6-8(12-7)3-2-4-9(10)11/h5-6H,2-4H2,1H3,(H,10,11)
    • InChI Key: DRMBJKVWELALCR-UHFFFAOYSA-N
    • SMILES: S1C(C)=CC=C1CCCC(=O)O

Computed Properties

  • Exact Mass: 184.05580079g/mol
  • Monoisotopic Mass: 184.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 159
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 65.5

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