ChemSpider 2D Image | 4-Oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-6-yl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate | C29H23NO9

4-Oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-6-yl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate

  • Molecular FormulaC29H23NO9
  • Average mass529.494 Da
  • Monoisotopic mass529.137268 Da
  • ChemSpider ID1349333

More details:

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

2H-Isoindole-2-propanoic acid, 1,3-dihydro-1,3-dioxo-, 4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-6-yl ester [ACD/Index Name]
3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate de 4-oxo-2-(3,4,5-triméthoxyphényl)-4H-chromén-6-yle [French] [ACD/IUPAC Name]
4-Oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-6-yl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate [ACD/IUPAC Name]
4-Oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-6-yl-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 355.79
ACD/KOC (pH 5.5): 2332.09
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.79
ACD/KOC (pH 7.4): 2332.09
Polar Surface Area: 118 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 384.0±3.0 cm3

Click to predict properties on the Chemicalize site


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