ChemSpider 2D Image | 1,3,5-Trihydroxy-2-(methoxymethyl)-9,10-anthraquinone | C16H12O6

1,3,5-Trihydroxy-2-(methoxymethyl)-9,10-anthraquinone

  • Molecular FormulaC16H12O6
  • Average mass300.263 Da
  • Monoisotopic mass300.063385 Da
  • ChemSpider ID24688228

More details:

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

1,3,5-Trihydroxy-2-(methoxymethyl)-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,3,5-Trihydroxy-2-(methoxymethyl)-9,10-anthraquinone [ACD/IUPAC Name]
1,3,5-Trihydroxy-2-(méthoxyméthyl)-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,3,5-trihydroxy-2-(methoxymethyl)- [ACD/Index Name]
1,3,5-TRIHYDROXY-2-(METHOXYMETHYL)-9,10-DIHYDROANTHRACENE-9,10-DIONE
1,3,5-Trihydroxy-2-(methoxymethyl)anthracene-9,10-dione
124854-45-1 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL452675/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 571.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 218.2±20.3 °C
Index of Refraction: 1.710
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 325.42
ACD/KOC (pH 5.5): 1953.25
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 11.35
Polar Surface Area: 104 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 80.2±3.0 dyne/cm
Molar Volume: 193.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement