Cas no 2158-88-5 (Ethyl 3-hydroxythiophene-2-carboxylate)

Ethyl 3-hydroxythiophene-2-carboxylate structure
2158-88-5 structure
Product Name:Ethyl 3-hydroxythiophene-2-carboxylate
CAS No:2158-88-5
MF:C7H8O3S
MW:172.201621055603
CID:287602
PubChem ID:75095
Update Time:2025-04-19

Ethyl 3-hydroxythiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-hydroxythiophene-2-carboxylate
    • 2-Thiophenecarboxylicacid, 3-hydroxy-, ethyl ester
    • ethyl 3-hydroxy-2-thenoate
    • (2E)-2-[ethoxy(hydroxy)methylidene]thiophen-3(2H)-one
    • EINECS 218-478-6
    • 2158-88-5
    • Ethyl 3-hydroxy-2-thiophenecarboxylate #
    • DTXSID60175940
    • NS00049921
    • CPNCRCBYQSHUPQ-UHFFFAOYSA-N
    • 2-ethoxycarbonyl-3-hydroxythiophene
    • CAA15888
    • Ethyl3-hydroxythiophene-2-carboxylate
    • SCHEMBL9710339
    • 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
    • DB-342966
    • Inchi: 1S/C7H8O3S/c1-2-10-7(9)6-5(8)3-4-11-6/h3-4,8H,2H2,1H3
    • InChI Key: CPNCRCBYQSHUPQ-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1C(=O)OCC)O

Computed Properties

  • Exact Mass: 172.01944
  • Monoisotopic Mass: 172.01941529g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 149
  • 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: 2.4
  • Topological Polar Surface Area: 74.8?2

Experimental Properties

  • PSA: 46.53

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