Cas no 110449-94-0 (Benzo[b]thiophene-7-carboxylic acid, methyl ester)

Benzo[b]thiophene-7-carboxylic acid, methyl ester structure
110449-94-0 structure
Product Name:Benzo[b]thiophene-7-carboxylic acid, methyl ester
CAS No:110449-94-0
MF:C10H8O2S
MW:192.234321594238
MDL:MFCD22560416
CID:1193572
PubChem ID:13759324
Update Time:2025-04-20

Benzo[b]thiophene-7-carboxylic acid, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene-7-carboxylic acid, methyl ester
    • methyl 1-benzothiophene-7-carboxylate
    • Methyl benzo[b]thiophene-7-carboxylate
    • Methylbenzo[b]thiophene-7-carboxylate
    • 110449-94-0
    • A927846
    • CS-0440881
    • MFMNLSWDVPSGBL-UHFFFAOYSA-N
    • SCHEMBL2084218
    • MFCD22560416
    • G68910
    • Benzo[b]thiophene-7-carboxylic acid methyl ester
    • MDL： MFCD22560416
    • Inchi： 1S/C10H8O2S/c1-12-10(11)8-4-2-3-7-5-6-13-9(7)8/h2-6H,1H3
    • InChI Key： MFMNLSWDVPSGBL-UHFFFAOYSA-N
    • SMILES： S1C=CC2C=CC=C(C(=O)OC)C1=2

Computed Properties

  • Exact Mass: 192.02454
  • Monoisotopic Mass: 192.02450067g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 205
  • 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: 2.8
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • PSA: 26.3

Benzo[b]thiophene-7-carboxylic acid, methyl ester Pricemore >>

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