Cas no 910635-48-2 (Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl-)

Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl- structure
910635-48-2 structure
Product Name:Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl-
CAS No:910635-48-2
MF:C12H14O3S
MW:238.302762508392
CID:1958732
PubChem ID:57437421
Update Time:2025-04-21

Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl-
    • 3-formyl-5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
    • SCHEMBL1863258
    • 910635-48-2
    • DB-339369
    • DOSOMZRCQCVMMO-UHFFFAOYSA-N
    • Inchi: 1S/C12H14O3S/c1-12(2)4-3-7-8(5-12)9(6-13)16-10(7)11(14)15/h6H,3-5H2,1-2H3,(H,14,15)
    • InChI Key: DOSOMZRCQCVMMO-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C2C(=C1C=O)CC(C)(C)CC2

Computed Properties

  • Exact Mass: 238.06636548Da
  • Monoisotopic Mass: 238.06636548Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 313
  • 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: 3.3
  • Topological Polar Surface Area: 82.6?2

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