Cas no 1505720-17-1 (2-Methyl-1-(thiophen-2-yl)cyclobutane-1-carboxylic acid)

2-Methyl-1-(thiophen-2-yl)cyclobutane-1-carboxylic acid structure
1505720-17-1 structure
Product Name:2-Methyl-1-(thiophen-2-yl)cyclobutane-1-carboxylic acid
CAS No:1505720-17-1
MF:C10H12O2S
MW:196.266081809998
CID:5700451
PubChem ID:66429736
Update Time:2023-10-14

2-Methyl-1-(thiophen-2-yl)cyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-1-(thiophen-2-yl)cyclobutane-1-carboxylic acid
    • EN300-1122331
    • 2-methyl-1-(thiophen-2-yl)cyclobutane-1-carboxylicacid
    • 1505720-17-1
    • AKOS015774881
    • Cyclobutanecarboxylic acid, 2-methyl-1-(2-thienyl)-
    • 2-Methyl-1-(thiophen-2-yl)cyclobutane-1-carboxylic acid
    • Inchi: 1S/C10H12O2S/c1-7-4-5-10(7,9(11)12)8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12)
    • InChI Key: GTIXIAOACHHVGV-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C1(C(=O)O)CCC1C

Computed Properties

  • Exact Mass: 196.05580079g/mol
  • Monoisotopic Mass: 196.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 229
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Density: 1.263±0.06 g/cm3(Predicted)
  • Boiling Point: 337.6±25.0 °C(Predicted)
  • pka: 4.34±0.40(Predicted)

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