Cas no 766513-48-8 (3-oxo-1-(propan-2-yl)cyclobutane-1-carboxylic acid)

3-oxo-1-(propan-2-yl)cyclobutane-1-carboxylic acid structure
766513-48-8 structure
Product Name:3-oxo-1-(propan-2-yl)cyclobutane-1-carboxylic acid
CAS No:766513-48-8
MF:C8H12O3
MW:156.179082870483
CID:550829
PubChem ID:45095981
Update Time:2025-04-19

3-oxo-1-(propan-2-yl)cyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclobutanecarboxylicacid, 1-(1-methylethyl)-3-oxo-
    • Cyclobutanecarboxylic acid, 1-(1-methylethyl)-3-oxo- (9CI)
    • 3-oxo-1-propan-2-ylcyclobutane-1-carboxylic acid
    • 3-oxo-1-(propan-2-yl)cyclobutane-1-carboxylic acid
    • DTXSID70667442
    • 766513-48-8
    • EN300-1837638
    • SCHEMBL13818245
    • FT-0726306
    • Inchi： 1S/C8H12O3/c1-5(2)8(7(10)11)3-6(9)4-8/h5H,3-4H2,1-2H3,(H,10,11)
    • InChI Key： HSNAYVUPDPZSQO-UHFFFAOYSA-N
    • SMILES： O=C1CC(C(=O)O)(C(C)C)C1

Computed Properties

  • Exact Mass: 156.07866
  • Monoisotopic Mass: 156.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 197
  • 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
  • Topological Polar Surface Area: 54.4A^2
  • XLogP3: 0.4

Experimental Properties

  • PSA: 54.37

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