ChemSpider 2D Image | (3E)-3-[(2E)-1-Hydroxy-3-(3,4,5-trimethoxyphenyl)-2-propen-1-ylidene]-2H-chromene-2,4(3H)-dione | C21H18O7

(3E)-3-[(2E)-1-Hydroxy-3-(3,4,5-trimethoxyphenyl)-2-propen-1-ylidene]-2H-chromene-2,4(3H)-dione

  • Molecular FormulaC21H18O7
  • Average mass382.363 Da
  • Monoisotopic mass382.105255 Da
  • ChemSpider ID30655811

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-[(2E)-1-Hydroxy-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yliden]-2H-chromen-2,4(3H)-dion [German] [ACD/IUPAC Name]
(3E)-3-[(2E)-1-Hydroxy-3-(3,4,5-trimethoxyphenyl)-2-propen-1-ylidene]-2H-chromene-2,4(3H)-dione [ACD/IUPAC Name]
(3E)-3-[(2E)-1-Hydroxy-3-(3,4,5-triméthoxyphényl)-2-propén-1-ylidène]-2H-chromène-2,4(3H)-dione [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2,4(3H)-dione, 3-[(2E)-1-hydroxy-3-(3,4,5-trimethoxyphenyl)-2-propen-1-ylidene]-, (3E)- [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: 575.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 203.8±23.6 °C
Index of Refraction: 1.634
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 42.95
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 284.1±3.0 cm3

Click to predict properties on the Chemicalize site


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