Cas no 64630-79-1 (Pyranthrene-8,16-diol)

Pyranthrene-8,16-diol structure
Pyranthrene-8,16-diol structure
Product Name:Pyranthrene-8,16-diol
CAS No:64630-79-1
MF:C30H16O2
MW:408.446847915649
CID:2792436
PubChem ID:71371570
Update Time:2025-04-21

Pyranthrene-8,16-diol Chemical and Physical Properties

Names and Identifiers

    • PYRANTHRENE-8,16-DIOL
    • DTXSID60794493
    • 64630-79-1
    • Pyranthrene-8,16-diol
    • Inchi: 1S/C30H16O2/c31-29-19-7-3-1-5-17(19)23-13-15-9-12-22-28-24(18-6-2-4-8-20(18)30(22)32)14-16-10-11-21(29)27(23)25(16)26(15)28/h1-14,31-32H
    • InChI Key: QOYIRKIPYVISDZ-UHFFFAOYSA-N
    • SMILES: OC1C2C=CC=CC=2C2C=C3C=CC4=C(C5C=CC=CC=5C5C=C6C=CC=1C=2C6=C3C=54)O

Computed Properties

  • Exact Mass: 408.115029749Da
  • Monoisotopic Mass: 408.115029749Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 0
  • Complexity: 687
  • 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: 8.2
  • Topological Polar Surface Area: 40.5?2
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