Cas no 105708-72-3 (Dibenzo[def,mno]chrysene-6-methanol)

Dibenzo[def,mno]chrysene-6-methanol structure
105708-72-3 structure
Product Name:Dibenzo[def,mno]chrysene-6-methanol
CAS No:105708-72-3
MF:C23H14O
MW:306.356666088104
CID:190275
PubChem ID:149704
Update Time:2025-04-19

Dibenzo[def,mno]chrysene-6-methanol Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[def,mno]chrysene-6-methanol
    • 6-Hydroxymethylanthanthrene
    • AC1L3ZM7
    • ACMC-20m8ud
    • AG-D-19509
    • CTK0H9868
    • Dibenzo(def,mno)chrysene-6-methanol
    • LS-60631
    • 105708-72-3
    • 12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethanol
    • NS00116066
    • DTXSID20147264
    • Inchi: 1S/C23H14O/c24-12-19-17-6-2-4-14-7-8-16-11-15-5-1-3-13-9-10-18(19)23(20(13)15)22(16)21(14)17/h1-11,24H,12H2
    • InChI Key: YWJXFEXZVZQIRV-UHFFFAOYSA-N
    • SMILES: OCC1C2C=CC=C3C=CC4=CC5C=CC=C6C=CC=1C(C=56)=C4C=23

Computed Properties

  • Exact Mass: 306.10400
  • Monoisotopic Mass: 306.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 500
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.1647 (rough estimate)
  • Boiling Point: 386.97°C (rough estimate)
  • Flash Point: 243.5°C
  • Refractive Index: 1.5100 (estimate)
  • PSA: 20.23000
  • LogP: 5.82050

Dibenzo[def,mno]chrysene-6-methanol Security Information

  • Safety Term:Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
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