Cas no 153503-25-4 (2-Thiophenecarboxylicacid, 4-ethoxy-3-hydroxy-, ethyl ester)

2-Thiophenecarboxylicacid, 4-ethoxy-3-hydroxy-, ethyl ester structure
153503-25-4 structure
Product Name:2-Thiophenecarboxylicacid, 4-ethoxy-3-hydroxy-, ethyl ester
CAS No:153503-25-4
MF:C9H12O4S
MW:216.254181861877
CID:98895
Update Time:2024-03-05

2-Thiophenecarboxylicacid, 4-ethoxy-3-hydroxy-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylicacid, 4-ethoxy-3-hydroxy-, ethyl ester
    • 2-Thiophenecarboxylicacid,4-ethoxy-3-hydroxy-,ethylester(9CI)
    • 2-Thiophenecarboxylic acid, 4-ethoxy-3-hydroxy-, ethyl ester
    • Inchi: 1S/C9H12O4S/c1-3-12-6-5-14-8(7(6)10)9(11)13-4-2/h5,10H,3-4H2,1-2H3
    • InChI Key: OOAMCVASRMZSRG-UHFFFAOYSA-N
    • SMILES: C1(C(OCC)=O)SC=C(OCC)C=1O

Computed Properties

  • Exact Mass: 216.046
  • Monoisotopic Mass: 216.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 197
  • 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: 84A^2
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