Cas no 17825-40-0 (9,10-Phenanthrenedione,3,4,5,6-tetramethyl-)

9,10-Phenanthrenedione,3,4,5,6-tetramethyl- structure
17825-40-0 structure
Product Name:9,10-Phenanthrenedione,3,4,5,6-tetramethyl-
CAS No:17825-40-0
MF:C18H16O2
MW:264.318445205688
CID:229760
PubChem ID:282415
Update Time:2025-04-19

9,10-Phenanthrenedione,3,4,5,6-tetramethyl- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Phenanthrenedione,3,4,5,6-tetramethyl-
    • 3,4,5,6-tetramethylphenanthrene-9,10-dione
    • (+/-)-3,4,5,6-Tetramethyl-9,10-phenanthrenequinone
    • AC1L5WES
    • AC1Q6NBV
    • AG-J-92551
    • AR-1E8889
    • CTK4D6727
    • NSC135880
    • phenantrene orthoquinone
    • SureCN9270298
    • MLS002702000
    • BDBM114200
    • CHEMBL1698715
    • NSC-135880
    • SR-01000880100-2
    • SCHEMBL9270298
    • NCI60_000805
    • cid_282415
    • 17825-40-0
    • DTXSID70300302
    • SR-01000880100
    • 3,4,5,6-tetramethylphenanthrene-9,10-quinone
    • SMR001565577
    • Inchi: 1S/C18H16O2/c1-9-5-7-13-15(11(9)3)16-12(4)10(2)6-8-14(16)18(20)17(13)19/h5-8H,1-4H3
    • InChI Key: JTMGCXDRWXHOND-UHFFFAOYSA-N
    • SMILES: O=C1C(C2C=CC(C)=C(C)C=2C2=C(C)C(C)=CC=C21)=O

Computed Properties

  • Exact Mass: 264.11508
  • Monoisotopic Mass: 264.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 387
  • 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: 4.1
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
  • LogP: 3.96620
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