Cas no 23806-25-9 (3-methyl-5-phenylthiophene-2-carboxylic acid)

3-methyl-5-phenylthiophene-2-carboxylic acid structure
23806-25-9 structure
Product Name:3-methyl-5-phenylthiophene-2-carboxylic acid
CAS No:23806-25-9
MF:C12H10O2S
MW:218.271602153778
MDL:MFCD24480234
CID:1415127
PubChem ID:14113888
Update Time:2025-04-20

3-methyl-5-phenylthiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 3-methyl-5-phenyl-
    • 3-methyl-5-phenylthiophene-2-carboxylic acid
    • 23806-25-9
    • 3-methyl-5-phenyl-2-thiophenecarboxylic acid
    • HKLGQHBZEAPLDC-UHFFFAOYSA-N
    • DTXSID20556054
    • SCHEMBL3585269
    • EN300-9429278
    • 3-Methyl-5-phenyl-thiophene-2-carboxylic acid
    • MDL: MFCD24480234
    • Inchi: 1S/C12H10O2S/c1-8-7-10(15-11(8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
    • InChI Key: HKLGQHBZEAPLDC-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C(C)C=C1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 218.0402
  • Monoisotopic Mass: 218.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 236
  • 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: 3.5
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • PSA: 37.3

3-methyl-5-phenylthiophene-2-carboxylic acid Pricemore >>

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