ChemSpider 2D Image | 1,8-Dihydroxy-3-methyl-6-[(~2~H_3_)methyloxy]-9,10-anthraquinone | C16H9D3O5

1,8-Dihydroxy-3-methyl-6-[(2H3)methyloxy]-9,10-anthraquinone

  • Molecular FormulaC16H9D3O5
  • Average mass287.282 Da
  • Monoisotopic mass287.087311 Da
  • ChemSpider ID48060789
  • Non-standard isotope - Non-standard isotope


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,8-Dihydroxy-3-methyl-6-[(2H3)methyloxy]-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,8-Dihydroxy-3-methyl-6-[(2H3)methyloxy]-9,10-anthraquinone [ACD/IUPAC Name]
1,8-Dihydroxy-3-méthyl-6-[(2H3)méthyloxy]-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,8-dihydroxy-3-methyl-6-(methyl-d3-oxy)- [ACD/Index Name]
1,8-dihydroxy-3-methyl-6-(trideuteriomethoxy)anthracene-9,10-dione
1,8-Dihydroxy-3-methyl-6-[(2H3)methyloxy]anthracene-9,10-dione
1215751-27-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 560.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 215.4±23.6 °C
Index of Refraction: 1.678
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 599.76
ACD/KOC (pH 5.5): 3151.30
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 9.60
ACD/KOC (pH 7.4): 50.42
Polar Surface Area: 84 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 196.2±3.0 cm3

Click to predict properties on the Chemicalize site






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