Cas no 969-45-9 (2-Thiophenecarboxylic acid, 3,4-diphenyl-, ethyl ester)

2-Thiophenecarboxylic acid, 3,4-diphenyl-, ethyl ester structure
969-45-9 structure
Product Name:2-Thiophenecarboxylic acid, 3,4-diphenyl-, ethyl ester
CAS No:969-45-9
MF:C19H16O2S
MW:308.394144058228
CID:751242
PubChem ID:71423368
Update Time:2025-04-19

2-Thiophenecarboxylic acid, 3,4-diphenyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 3,4-diphenyl-, ethyl ester
    • ethyl 3,4-diphenylthiophene-2-carboxylate
    • 969-45-9
    • DTXSID40842209
    • Inchi: 1S/C19H16O2S/c1-2-21-19(20)18-17(15-11-7-4-8-12-15)16(13-22-18)14-9-5-3-6-10-14/h3-13H,2H2,1H3
    • InChI Key: ODWMNSHONULIIT-UHFFFAOYSA-N
    • SMILES: S1C=C(C2C=CC=CC=2)C(=C1C(=O)OCC)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 308.08710092g/mol
  • Monoisotopic Mass: 308.08710092g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 358
  • 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: 5.4
  • Topological Polar Surface Area: 54.5?2
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