Cas no 874584-13-1 (1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl-)

1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl- structure
874584-13-1 structure
Product Name:1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl-
CAS No:874584-13-1
MF:C16H16O2
MW:240.297044754028
CID:656157
PubChem ID:11514239
Update Time:2025-04-19

1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl-
    • 8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione
    • DTXSID10467867
    • CHEMBL2419173
    • 874584-13-1
    • Inchi: 1S/C16H16O2/c1-16(2)7-3-4-10-8-11-12(9-13(10)16)15(18)6-5-14(11)17/h5-6,8-9H,3-4,7H2,1-2H3
    • InChI Key: OQFGLBQQDUDRLO-UHFFFAOYSA-N
    • SMILES: O=C1C=CC(C2C1=CC1=C(C=2)CCCC1(C)C)=O

Computed Properties

  • Exact Mass: 240.115029749g/mol
  • Monoisotopic Mass: 240.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 419
  • 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: 3.7
  • Topological Polar Surface Area: 34.1?2
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