Cas no 83188-09-4 (1,4-Pentanedione, 2-methyl-1-phenyl-)

1,4-Pentanedione, 2-methyl-1-phenyl- structure
83188-09-4 structure
Product Name:1,4-Pentanedione, 2-methyl-1-phenyl-
CAS No:83188-09-4
MF:C12H14O2
MW:190.238363742828
CID:677163
PubChem ID:13074988
Update Time:2025-04-19

1,4-Pentanedione, 2-methyl-1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Pentanedione, 2-methyl-1-phenyl-
    • 2-methyl-1-phenylpentane-1,4-dione
    • 83188-09-4
    • DTXSID10517412
    • AKOS014036207
    • Inchi： 1S/C12H14O2/c1-9(8-10(2)13)12(14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
    • InChI Key： WQOJMLCFNZUDES-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=CC=1)C(C)CC(C)=O

Computed Properties

  • Exact Mass: 190.099379685g/mol
  • Monoisotopic Mass: 190.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 214
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 34.1?2

1,4-Pentanedione, 2-methyl-1-phenyl- Related Literature

83188-09-4 (1,4-Pentanedione, 2-methyl-1-phenyl-) Related Products

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