ChemSpider 2D Image | {[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}malonic acid | C13H12O8

{[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}malonic acid

  • Molecular FormulaC13H12O8
  • Average mass296.230 Da
  • Monoisotopic mass296.053223 Da
  • ChemSpider ID30776964

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}malonic acid [ACD/IUPAC Name]
{[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}malonsäure [German] [ACD/IUPAC Name]
95519-25-8 [RN]
Acide {[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}malonique [French] [ACD/IUPAC Name]
Propanedioic acid, [[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, (E)-
Propanedioic acid, 2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]- [ACD/Index Name]
2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanedioic acid
2-O-Feruloyltartronic acid

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 215.4±23.6 °C
Index of Refraction: 1.629
Molar Refractivity: 69.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -3.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 195.5±3.0 cm3

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