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ChemSpider 2D Image | anthrapurpurin | C14H8O5


  • Molecular FormulaC14H8O5
  • Average mass256.210 Da
  • Monoisotopic mass256.037173 Da
  • ChemSpider ID1280

More details:

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

1,2,7-Trihydroxy-9,10-anthraquinone [ACD/IUPAC Name]
602-65-3 [RN]
9,10-Anthracenedione, 1,2,7-trihydroxy- [ACD/Index Name]
Anthraquinone, 1,2,7-trihydroxy-

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

C.I. 58255 [DBID]
NSC 37590 [DBID]
NSC 75635 [DBID]

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

Density: 1.7±0.0 g/cm3
Boiling Point: 462.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 75.1±0.0 kJ/mol
Flash Point: 247.3±0.0 °C
Index of Refraction: 1.772
Molar Refractivity: 64.3±0.0 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 631.25
ACD/KOC (pH 5.5): 3354.78
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 18.54
ACD/KOC (pH 7.4): 98.51
Polar Surface Area: 95 Å2
Polarizability: 25.5±0.0 10-24cm3
Surface Tension: 93.9±0.0 dyne/cm
Molar Volume: 154.3±0.0 cm3

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