Cas no 37094-53-4 (Naphtho[2,1-b]thiophene-4-carboxylic acid)

Naphtho[2,1-b]thiophene-4-carboxylic acid structure
37094-53-4 structure
Product Name:Naphtho[2,1-b]thiophene-4-carboxylic acid
CAS No:37094-53-4
MF:C13H8O2S
MW:228.266422271729
CID:1480852
Update Time:2024-08-23

Naphtho[2,1-b]thiophene-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Naphtho[2,1-b]thiophene-4-carboxylic acid
    • Inchi: 1S/C13H8O2S/c14-13(15)11-7-8-3-1-2-4-9(8)10-5-6-16-12(10)11/h1-7H,(H,14,15)
    • InChI Key: XJPSYWUKRBZMFD-UHFFFAOYSA-N
    • SMILES: C12=C(C(O)=O)C=C3C(=C1C=CS2)C=CC=C3

Computed Properties

  • Exact Mass: 228.02454

Experimental Properties

  • Density: 1.429±0.06 g/cm3(Predicted)
  • Boiling Point: 441.3±20.0 °C(Predicted)
  • PSA: 37.3
  • pka: 3.37±0.30(Predicted)
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