ChemSpider 2D Image | 3,6,13,16,19-Pentaoxatricyclo[19.2.2.2~8,11~]heptacosa-1(23),8,10,21,24,26-hexaene-2,7,12,20-tetrone | C22H20O9

3,6,13,16,19-Pentaoxatricyclo[19.2.2.28,11]heptacosa-1(23),8,10,21,24,26-hexaene-2,7,12,20-tetrone

  • Molecular FormulaC22H20O9
  • Average mass428.389 Da
  • Monoisotopic mass428.110718 Da
  • ChemSpider ID95502378

More details:

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

3,6,13,16,19-Pentaoxatricyclo[19.2.2.28,11]heptacosa-1(23),8,10,21,24,26-hexaen-2,7,12,20-tetron [German] [ACD/IUPAC Name]
3,6,13,16,19-Pentaoxatricyclo[19.2.2.28,11]heptacosa-1(23),8,10,21,24,26-hexaene-2,7,12,20-tetrone [ACD/IUPAC Name]
3,6,13,16,19-Pentaoxatricyclo[19.2.2.28,11]heptacosa-1(23),8,10,21,24,26-hexaène-2,7,12,20-tétrone [French] [ACD/IUPAC Name]
3,6,13,16,19-Pentaoxatricyclo[19.2.2.28,11]heptacosa-8,10,21,23,24,26-hexaene-2,7,12,20-tetrone [ACD/Index Name]
29278-57-7 [RN]
3,6,13,16,19-Pentaoxatricyclo[19.2.2.28,11]heptacosa-1(24),8,10,21(25),22,26-hexaene-2,7,12,20-tetrone
3,6,13,16,19-Pentaoxatricyclo[19.2.2.28,11]heptacosa-8,10,21,23,24,26 -hexaene-2,7,12,20-tetrone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 332.4±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.26
ACD/KOC (pH 5.5): 256.23
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.26
ACD/KOC (pH 7.4): 256.23
Polar Surface Area: 114 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 337.9±3.0 cm3

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