Cas no 181063-55-8 (Propyl 3-ethoxythiophene-2-carboxylate)

Propyl 3-ethoxythiophene-2-carboxylate structure
181063-55-8 structure
Product Name:Propyl 3-ethoxythiophene-2-carboxylate
CAS No:181063-55-8
MF:C10H14O3S
MW:214.281362056732
CID:1020038
Update Time:2023-08-02

Propyl 3-ethoxythiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylicacid,3-ethoxy-,propylester(9CI)
    • propyl 3-ethoxythiophene-2-carboxylate
    • 2-thiophenecarboxylic acid,3-ethoxy-,propyl ester
    • Propyl 3-ethoxythiophene-2-carboxylate
    • Inchi: 1S/C10H14O3S/c1-3-6-13-10(11)9-8(12-4-2)5-7-14-9/h5,7H,3-4,6H2,1-2H3
    • InChI Key: DCGARCVLVXLFBW-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1C(=O)OCCC)OCC

Computed Properties

  • Exact Mass: 214.066
  • Monoisotopic Mass: 214.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 184
  • 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
  • Topological Polar Surface Area: 63.8
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