Cas no 15517-57-4 (Ethanone,1,1'-(2,4,6-trimethyl-1,3-phenylene)bis- (9CI))

Ethanone,1,1'-(2,4,6-trimethyl-1,3-phenylene)bis- (9CI) structure
15517-57-4 structure
Product Name:Ethanone,1,1'-(2,4,6-trimethyl-1,3-phenylene)bis- (9CI)
CAS No:15517-57-4
MF:C13H16O2
MW:204.264944076538
CID:143586
PubChem ID:325946
Update Time:2025-04-19

Ethanone,1,1'-(2,4,6-trimethyl-1,3-phenylene)bis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1,1'-(2,4,6-trimethyl-1,3-phenylene)bis- (9CI)
    • 1-(3-acetyl-2,4,6-trimethylphenyl)ethanone
    • 1,3-diacetyl-2,4,6-trimethylbenzene
    • 2,4-diacetyl-1,3,5-trimethyl-benzene
    • 2,4-Diacetyl-1,3,5-trimethyl-benzol
    • 2.4-Diacetyl-mesitylen
    • 21.41-Dioxo-1.3.5-trimethyl-2.4-diaethyl-benzol
    • AC1L6XBV
    • diacetylmesitylene
    • eso-Diacetyl-mesitylen
    • NSC295555
    • 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)
    • SCHEMBL2810235
    • diacetyl-mesitylene
    • NSC-295555
    • DTXSID00315606
    • 15517-57-4
    • Inchi： 1S/C13H16O2/c1-7-6-8(2)13(11(5)15)9(3)12(7)10(4)14/h6H,1-5H3
    • InChI Key： QQLGCXFBLZBKGG-UHFFFAOYSA-N
    • SMILES： O=C(C)C1C(C)=CC(C)=C(C(C)=O)C=1C

Computed Properties

  • Exact Mass: 204.11508
  • Monoisotopic Mass: 204.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 244
  • 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: 2.4
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
  • LogP: 3.01700

Ethanone,1,1'-(2,4,6-trimethyl-1,3-phenylene)bis- (9CI) Related Literature

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