ChemSpider 2D Image | 2-Hydroxymethyl-1,3,4-trimethoxyanthraquinone | C18H16O6

2-Hydroxymethyl-1,3,4-trimethoxyanthraquinone

  • Molecular FormulaC18H16O6
  • Average mass328.316 Da
  • Monoisotopic mass328.094696 Da
  • ChemSpider ID24602365

More details:



Featured data source



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

2-(Hydroxymethyl)-1,3,4-trimethoxy-9,10-anthrachinon [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-1,3,4-trimethoxy-9,10-anthraquinone [ACD/IUPAC Name]
2-(Hydroxyméthyl)-1,3,4-triméthoxy-9,10-anthraquinone [French] [ACD/IUPAC Name]
2-Hydroxymethyl-1,3,4-trimethoxyanthraquinone
9,10-Anthracenedione, 2-(hydroxymethyl)-1,3,4-trimethoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 206.5±23.6 °C
Index of Refraction: 1.612
Molar Refractivity: 85.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.09
ACD/KOC (pH 5.5): 416.75
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.09
ACD/KOC (pH 7.4): 416.75
Polar Surface Area: 82 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 244.9±3.0 cm3

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