Cas no 114946-36-0 (1H-Cyclopent[b]anthracene-1,2,3-trione)

1H-Cyclopent[b]anthracene-1,2,3-trione structure
114946-36-0 structure
Product Name:1H-Cyclopent[b]anthracene-1,2,3-trione
CAS No:114946-36-0
MF:C17H8O3
MW:260.243624687195
CID:1205089
PubChem ID:58803261
Update Time:2025-04-20

1H-Cyclopent[b]anthracene-1,2,3-trione Chemical and Physical Properties

Names and Identifiers

    • 1H-Cyclopent[b]anthracene-1,2,3-trione
    • cyclopenta[b]anthracene-1,2,3-trione
    • DTXSID10730265
    • SCHEMBL14575293
    • 1H-Cyclopenta[b]anthracene-1,2,3-trione
    • 114946-36-0
    • Inchi: 1S/C17H8O3/c18-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(19)17(15)20/h1-8H
    • InChI Key: BNTKPGLRZMQXKB-UHFFFAOYSA-N
    • SMILES: O=C1C(C(C2C=C3C=C4C=CC=CC4=CC3=CC=21)=O)=O

Computed Properties

  • Exact Mass: 260.04734
  • Monoisotopic Mass: 260.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 439
  • 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: 51.2?2

Experimental Properties

  • PSA: 51.21
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