Cas no 30086-95-4 (1,9-Anthracenediol)

1,9-Anthracenediol structure
1,9-Anthracenediol structure
Product Name:1,9-Anthracenediol
CAS No:30086-95-4
MF:C14H10O2
MW:210.228003978729
CID:313255
PubChem ID:34809
Update Time:2025-04-19

1,9-Anthracenediol Chemical and Physical Properties

Names and Identifiers

    • 1,9-Anthracenediol
    • anthracene-1,9-diol
    • 1,9-Dihydroxyanthracene
    • AC1L1SCL
    • AG-E-98528
    • Anthracen-1,9-diol
    • BRN 3530764
    • CTK1C4374
    • LS-20297
    • DTXSID60184173
    • Oxyanthranol
    • SCHEMBL5598124
    • 30086-95-4
    • Inchi: 1S/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-8,15-16H
    • InChI Key: IWRGJSINRVRSPA-UHFFFAOYSA-N
    • SMILES: OC1C2C=CC=CC=2C=C2C=CC=C(C2=1)O

Computed Properties

  • Exact Mass: 210.0681
  • Monoisotopic Mass: 210.06808
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 253
  • 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: 4.3
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • Density: 1.360±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 240-242 oC
  • Boiling Point: 391.1°Cat760mmHg
  • Flash Point: 193.8°C
  • Refractive Index: 1.794
  • Solubility: Almost insoluble (0.044 g/l) (25 o C),
  • PSA: 40.46
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