Cas no 22693-07-8 ([2,2'-Binaphthalene]-1,1',4,4'-tetrone, 3,3'-dimethyl-)

[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 3,3'-dimethyl- structure
22693-07-8 structure
Product Name:[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 3,3'-dimethyl-
CAS No:22693-07-8
MF:C22H14O4
MW:342.344166278839
CID:1411482
PubChem ID:11336805
Update Time:2025-04-20

[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 3,3'-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 3,3'-dimethyl-
    • 2-methyl-3-(3-methyl-1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione
    • 22693-07-8
    • C22H14O4
    • DTXSID80462824
    • CHEMBL1223985
    • SCHEMBL1556617
    • Inchi: 1S/C22H14O4/c1-11-17(21(25)15-9-5-3-7-13(15)19(11)23)18-12(2)20(24)14-8-4-6-10-16(14)22(18)26/h3-10H,1-2H3
    • InChI Key: RFRKMASEXOLDTH-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(C(C)=C1C1C(C2C=CC=CC=2C(C=1C)=O)=O)=O

Computed Properties

  • Exact Mass: 342.08922
  • Monoisotopic Mass: 342.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 1
  • Complexity: 716
  • 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: 3.4
  • Topological Polar Surface Area: 68.3?2

Experimental Properties

  • PSA: 68.28
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