Cas no 106593-43-5 (2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-)

2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl- structure
106593-43-5 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-
CAS No:106593-43-5
MF:C13H10O2
MW:198.217303752899
CID:1175912
PubChem ID:607705
Update Time:2025-04-20

2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-
    • 2-methyl-5-phenylcyclohexa-2,5-diene-1,4-dione
    • 2-Methyl-5-phenylbenzo-1,4-quinone #
    • 106593-43-5
    • DTXSID30345870
    • UZFTUCAAHYREBS-UHFFFAOYSA-N
    • SCHEMBL25834271
    • 2-Methyl-5-phenyl-1,4,cyclohediene-1,4-dione
    • Inchi: 1S/C13H10O2/c1-9-7-13(15)11(8-12(9)14)10-5-3-2-4-6-10/h2-8H,1H3
    • InChI Key: UZFTUCAAHYREBS-UHFFFAOYSA-N
    • SMILES: O=C1C=C(C)C(C=C1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 198.0681
  • Monoisotopic Mass: 198.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 355
  • 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
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
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