ChemSpider 2D Image | 5-[(1E)-3-(3,4-Dimethoxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl 4,5-dimethoxy-2-nitrobenzoate | C27H25NO10

5-[(1E)-3-(3,4-Dimethoxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl 4,5-dimethoxy-2-nitrobenzoate

  • Molecular FormulaC27H25NO10
  • Average mass523.488 Da
  • Monoisotopic mass523.147827 Da
  • ChemSpider ID126749981

  • Double-bond stereo - Double-bond stereo

More details:

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

4,5-Diméthoxy-2-nitrobenzoate de 5-[(1E)-3-(3,4-diméthoxyphényl)-3-oxo-1-propén-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
5-[(1E)-3-(3,4-Dimethoxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl 4,5-dimethoxy-2-nitrobenzoate [ACD/IUPAC Name]
5-[(1E)-3-(3,4-Dimethoxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl-4,5-dimethoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4,5-dimethoxy-2-nitro-, 5-[(1E)-3-(3,4-dimethoxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester [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: 734.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 279.7±34.9 °C
Index of Refraction: 1.601
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1732.88
ACD/KOC (pH 5.5): 7242.82
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1732.88
ACD/KOC (pH 7.4): 7242.82
Polar Surface Area: 135 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 405.1±3.0 cm3

Click to predict properties on the Chemicalize site


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