Cas no 1785-51-9 (1,6-Pyrenedione)

1,6-Pyrenedione structure
1,6-Pyrenedione structure
Product Name:1,6-Pyrenedione
CAS No:1785-51-9
MF:C16H8O2
MW:232.23352432251
CID:169609
PubChem ID:15699
Update Time:2025-04-19

1,6-Pyrenedione Chemical and Physical Properties

Names and Identifiers

    • 1,6-Pyrenedione
    • 1,6-PYRENEQUINONE
    • pyrene-1,6-dione
    • 3,8-Pyrenedione
    • 3,8-Pyrenequinone
    • BRN 1963133
    • CCRIS 5485
    • NSC 142616
    • Pyrenequinone
    • 1,6-DIHYDROPYRENE-1,6-DIONE
    • EINECS 217-238-8
    • SCHEMBL1310003
    • Q27155495
    • 1785-51-9
    • EU5GO38I7H
    • NS00025880
    • HMS1649I09
    • NSC142616
    • DTXSID4061967
    • UNII-EU5GO38I7H
    • C18257
    • CHEBI:81608
    • NSC-142616
    • G83036
    • YFPSDOXLHBDCOR-UHFFFAOYSA-N
    • Inchi: 1S/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
    • InChI Key: YFPSDOXLHBDCOR-UHFFFAOYSA-N
    • SMILES: O=C1C=CC2=CC=C3C(C=CC4=CC=C1C2=C34)=O

Computed Properties

  • Exact Mass: 232.05244
  • Monoisotopic Mass: 232.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 430
  • 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
  • Topological Polar Surface Area: 34.1A^2
  • XLogP3: 3.2

Experimental Properties

  • Density: 1.2260 (rough estimate)
  • Boiling Point: 314.4°C (rough estimate)
  • Flash Point: 177.8°C
  • Refractive Index: 1.4700 (estimate)
  • PSA: 34.14
  • LogP: 3.25880

1,6-Pyrenedione Pricemore >>

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