Cas no 93040-32-5 (2,4-Pentanedione, 3,3'-[1,3-phenylenebis(methylene)]bis-)

2,4-Pentanedione, 3,3'-[1,3-phenylenebis(methylene)]bis- structure
93040-32-5 structure
Product Name:2,4-Pentanedione, 3,3'-[1,3-phenylenebis(methylene)]bis-
CAS No:93040-32-5
MF:C18H22O4
MW:302.364885807037
CID:752882
PubChem ID:66661216
Update Time:2025-04-19

2,4-Pentanedione, 3,3'-[1,3-phenylenebis(methylene)]bis- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Pentanedione, 3,3'-[1,3-phenylenebis(methylene)]bis-
    • 3-[[3-(2-acetyl-3-oxobutyl)phenyl]methyl]pentane-2,4-dione
    • SCHEMBL346630
    • FZHMKLSLKYTDTF-UHFFFAOYSA-N
    • DTXSID10735533
    • 93040-32-5
    • 3,3'-[1,3-phenylenebis(methylene)]bis(2,4-pentanedione)
    • 3,3'-[1,3-Phenylenebis(methylene)]di(pentane-2,4-dione)
    • Inchi: 1S/C18H22O4/c1-11(19)17(12(2)20)9-15-6-5-7-16(8-15)10-18(13(3)21)14(4)22/h5-8,17-18H,9-10H2,1-4H3
    • InChI Key: FZHMKLSLKYTDTF-UHFFFAOYSA-N
    • SMILES: O=C(C)C(C(C)=O)CC1C=CC=C(C=1)CC(C(C)=O)C(C)=O

Computed Properties

  • Exact Mass: 302.15180918g/mol
  • Monoisotopic Mass: 302.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 8
  • Complexity: 384
  • 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: 1.8
  • Topological Polar Surface Area: 68.3?2
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