Cas no 7512-22-3 (Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI))

Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) structure
7512-22-3 structure
Product Name:Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)
CAS No:7512-22-3
MF:C22H10O3
MW:322.313005924225
CID:574623
PubChem ID:343937
Update Time:2025-04-19

Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) Chemical and Physical Properties

Names and Identifiers

    • Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)
    • benzo[def]chrysene-7,8-dicarboxylic acid-anhydride
    • AC1L7ZFK
    • Benzo[def]chrysen-7,8-dicarbonsaeure-anhydrid
    • CTK2I0415
    • NSC400564
    • NSC-400564
    • Pyreno[2,9-dione
    • DTXSID50322143
    • 7512-22-3
    • Inchi: 1S/C22H10O3/c23-21-16-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-17(14)20(16)22(24)25-21/h1-10H
    • InChI Key: JPGLKLACGIZZOV-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC=C3C(=C2C1=O)C=C1C=CC2=CC=CC4C=CC3=C1C=42)=O

Computed Properties

  • Exact Mass: 322.063
  • Monoisotopic Mass: 322.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 0
  • Complexity: 612
  • 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: 5.7
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
  • LogP: 5.04780
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