ChemSpider 2D Image | (1Z,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione | C21H20O6

(1Z,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione

  • Molecular FormulaC21H20O6
  • Average mass368.380 Da
  • Monoisotopic mass368.125977 Da
  • ChemSpider ID21427422
  • Double-bond stereo - Double-bond stereo


More details:






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

(1Z,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dion [German] [ACD/IUPAC Name]
(1Z,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione [ACD/IUPAC Name]
(1Z,6E)-1,7-Bis(4-hydroxy-3-méthoxyphényl)-1,6-heptadiène-3,5-dione [French] [ACD/IUPAC Name]
(1Z,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1Z,6E)- [ACD/Index Name]
(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione
207-280-5 [EINECS]
458-37-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 208.9±23.6 °C
Index of Refraction: 1.643
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.05
ACD/KOC (pH 5.5): 588.53
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 40.49
ACD/KOC (pH 7.4): 457.87
Polar Surface Area: 93 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 287.9±3.0 cm3

Click to predict properties on the Chemicalize site






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