ChemSpider 2D Image | 4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl 2-acetoxybenzoate | C30H26O9

4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl 2-acetoxybenzoate

  • Molecular FormulaC30H26O9
  • Average mass530.522 Da
  • Monoisotopic mass530.157654 Da
  • ChemSpider ID58974212

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Acétoxybenzoate de 4-[(1E,6E)-7-(4-hydroxy-3-méthoxyphényl)-3,5-dioxo-1,6-heptadién-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl 2-acetoxybenzoate [ACD/IUPAC Name]
4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl-2-acetoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-(acetyloxy)-, 4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-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: 765.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 252.1±26.4 °C
Index of Refraction: 1.625
Molar Refractivity: 145.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 796.17
ACD/KOC (pH 5.5): 4146.65
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 621.16
ACD/KOC (pH 7.4): 3235.17
Polar Surface Area: 125 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 410.5±3.0 cm3

Click to predict properties on the Chemicalize site


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