ChemSpider 2D Image | (10R)-10-[(2E,4Z)-2,4-Hexadienoyl]-1,8-dihydroxy-3-methyl-9(10H)-anthracenone | C21H18O4

(10R)-10-[(2E,4Z)-2,4-Hexadienoyl]-1,8-dihydroxy-3-methyl-9(10H)-anthracenone

  • Molecular FormulaC21H18O4
  • Average mass334.365 Da
  • Monoisotopic mass334.120514 Da
  • ChemSpider ID62372039

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10R)-10-[(2E,4Z)-2,4-Hexadienoyl]-1,8-dihydroxy-3-methyl-9(10H)-anthracenon [German] [ACD/IUPAC Name]
(10R)-10-[(2E,4Z)-2,4-Hexadienoyl]-1,8-dihydroxy-3-methyl-9(10H)-anthracenone [ACD/IUPAC Name]
(10R)-10-[(2E,4Z)-2,4-Hexadienoyl]-1,8-dihydroxy-3-méthyl-9(10H)-anthracénone [French] [ACD/IUPAC Name]
9(10H)-Anthracenone, 1,8-dihydroxy-3-methyl-10-[(2E,4Z)-1-oxo-2,4-hexadien-1-yl]-, (10R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 304.9±26.6 °C
Index of Refraction: 1.651
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 908.87
ACD/KOC (pH 5.5): 4522.80
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 211.88
ACD/KOC (pH 7.4): 1054.37
Polar Surface Area: 75 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 260.2±3.0 cm3

Click to predict properties on the Chemicalize site


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