Cas no 88488-70-4 (2,4-Pentanedione, 1-(3-methoxyphenyl)-)

2,4-Pentanedione, 1-(3-methoxyphenyl)- structure
88488-70-4 structure
Product Name:2,4-Pentanedione, 1-(3-methoxyphenyl)-
CAS No:88488-70-4
MF:C12H14O3
MW:206.237763881683
CID:630852
PubChem ID:13201808
Update Time:2025-04-19

2,4-Pentanedione, 1-(3-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Pentanedione, 1-(3-methoxyphenyl)-
    • 1-(3-methoxyphenyl)pentane-2,4-dione
    • 88488-70-4
    • DTXSID10527036
    • SCHEMBL2209808
    • Inchi： 1S/C12H14O3/c1-9(13)6-11(14)7-10-4-3-5-12(8-10)15-2/h3-5,8H,6-7H2,1-2H3
    • InChI Key： NNSBMAYHYJVWNR-UHFFFAOYSA-N
    • SMILES： O(C)C1=CC=CC(=C1)CC(CC(C)=O)=O

Computed Properties

  • Exact Mass: 206.094294304g/mol
  • Monoisotopic Mass: 206.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 235
  • 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: 1.5
  • Topological Polar Surface Area: 43.4?2

2,4-Pentanedione, 1-(3-methoxyphenyl)- Related Literature

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