Cas no 35049-76-4 (2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione)

2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione structure
35049-76-4 structure
Product Name:2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione
CAS No:35049-76-4
MF:C10H12O4
MW:196.199883460999
CID:2823320
PubChem ID:71359783
Update Time:2025-04-21

2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione Chemical and Physical Properties

Names and Identifiers

    • DTXSID20783621
    • 2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione
    • 35049-76-4
    • Inchi: 1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h5,9H,3-4H2,1-2H3
    • InChI Key: ZFCWBUREONENKJ-UHFFFAOYSA-N
    • SMILES: O=C(C(C)C)C1C(CC(CC1=O)=O)=O

Computed Properties

  • Exact Mass: 196.07355886Da
  • Monoisotopic Mass: 196.07355886Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 294
  • 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: 0.8
  • Topological Polar Surface Area: 68.3?2

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