Cas no 910635-70-0 (Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-)

Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl- structure
910635-70-0 structure
Product Name:Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-
CAS No:910635-70-0
MF:C10H12O2S
MW:196.266081809998
CID:1958946
PubChem ID:57508899
Update Time:2025-04-21

Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-
    • 5-methyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
    • 910635-70-0
    • DB-333113
    • SCHEMBL1854254
    • Inchi: 1S/C10H12O2S/c1-6-2-3-8-7(4-6)5-13-9(8)10(11)12/h5-6H,2-4H2,1H3,(H,11,12)
    • InChI Key: GUBVMEUBRLTQNS-UHFFFAOYSA-N
    • SMILES: S1C=C2C(=C1C(=O)O)CCC(C)C2

Computed Properties

  • Exact Mass: 196.05580079Da
  • Monoisotopic Mass: 196.05580079Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 217
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 65.5?2
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