ChemSpider 2D Image | 2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}succinic acid | C22H18O12

2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}succinic acid

  • Molecular FormulaC22H18O12
  • Average mass474.371 Da
  • Monoisotopic mass474.079834 Da
  • ChemSpider ID95580223

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}bernsteinsäure [German] [ACD/IUPAC Name]
2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3-{[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}succinic acid [ACD/IUPAC Name]
Acide 2-{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-3-{[(2Z)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 785.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 272.9±26.4 °C
Index of Refraction: 1.726
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 92.1±3.0 dyne/cm
Molar Volume: 289.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement