Cas no 59303-19-4 (2-Thiophenecarboxylic acid, propyl ester)

2-Thiophenecarboxylic acid, propyl ester structure
59303-19-4 structure
Product Name:2-Thiophenecarboxylic acid, propyl ester
CAS No:59303-19-4
MF:C8H10O2S
MW:170.228801250458
CID:339154
PubChem ID:573763
Update Time:2025-04-19

2-Thiophenecarboxylic acid, propyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, propyl ester
    • Propyl 2-thiophenecarboxylate
    • Propyl thiophene-2-carboxylate
    • HYLLYJWFXKKKOW-UHFFFAOYSA-N
    • AKOS008947881
    • thiophene-2-carboxylic acid propyl ester
    • 59303-19-4
    • DTXSID00879157
    • SCHEMBL9495199
    • 2-Thiophenecarboxylic acid,propyl ester
    • Propyl 2-thiophenecarboxylate #
    • Inchi: 1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3
    • InChI Key: HYLLYJWFXKKKOW-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C(=O)OCCC

Computed Properties

  • Exact Mass: 170.0402
  • Monoisotopic Mass: 170.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 136
  • 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: 2.9
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • PSA: 26.3
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