Cas no 56183-24-5 (5,6-Chrysenediol,5,6-dihydro-, (5R,6R)-rel-)

5,6-Chrysenediol,5,6-dihydro-, (5R,6R)-rel- structure
56183-24-5 structure
Product Name:5,6-Chrysenediol,5,6-dihydro-, (5R,6R)-rel-
CAS No:56183-24-5
MF:C18H14O2
MW:262.302565097809
CID:371020
PubChem ID:41776
Update Time:2025-04-19

5,6-Chrysenediol,5,6-dihydro-, (5R,6R)-rel- Chemical and Physical Properties

Names and Identifiers

    • (5R,6R)-5,6-dihydrochrysene-5,6-diol
    • 5,6-Chrysenediol,5,6-dihydro-, (5R,6R)-rel-
    • CHRYSENE-TRANS-5,6-DIHYDRODIOL
    • Chrysene-trans-5,6-dihydrodiolneat
    • CHRYSENE-5,6-DIOL,5,6-DIHYDRO-,trans
    • trans-5,6-Dihydro-5,6-dihydroxychrysene
    • trans-5,6-Dihydrochrysene-5,6-diol
    • trans-5,6-Dihydroxy-5,6-dihydrochrysene
    • trans-Chrysene-5,6-diol
    • CHRYSENE-5,6-DIOL, 5,6-DIHYDRO-, trans-
    • 56183-24-5
    • CCRIS 2021
    • DTXSID60204729
    • Inchi: 1S/C18H14O2/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20/h1-10,17-20H/t17-,18-/m1/s1
    • InChI Key: LMNSFGGRBHRGSN-QZTJIDSGSA-N
    • SMILES: O[C@H]1[C@@H](C2C=CC=CC=2C2C=CC3C=CC=CC=3C1=2)O

Computed Properties

  • Exact Mass: 262.09900
  • Monoisotopic Mass: 262.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 355
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 40.5A^2

Experimental Properties

  • Density: 1.35
  • Boiling Point: 497.7°Cat760mmHg
  • Flash Point: 242.7°C
  • Refractive Index: 1.754
  • PSA: 40.46000
  • LogP: 3.58720
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