ChemSpider 2D Image | 2-({(2E)-3-[(2Z)-2-(3,4-Dihydroxybenzylidene)-3-oxo-2,3-dihydro-1,4-benzodioxin-6-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid | C27H20O11

2-({(2E)-3-[(2Z)-2-(3,4-Dihydroxybenzylidene)-3-oxo-2,3-dihydro-1,4-benzodioxin-6-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

  • Molecular FormulaC27H20O11
  • Average mass520.441 Da
  • Monoisotopic mass520.100586 Da
  • ChemSpider ID35015000

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({(2E)-3-[(2Z)-2-(3,4-Dihydroxybenzyliden)-3-oxo-2,3-dihydro-1,4-benzodioxin-6-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propansäure [German] [ACD/IUPAC Name]
2-({(2E)-3-[(2Z)-2-(3,4-Dihydroxybenzylidene)-3-oxo-2,3-dihydro-1,4-benzodioxin-6-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid [ACD/IUPAC Name]
Acide 2-({(2E)-3-[(2Z)-2-(3,4-dihydroxybenzylidène)-3-oxo-2,3-dihydro-1,4-benzodioxin-6-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E)-3-[(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-3-oxo-1,4-benzodioxin-6-yl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy- [ACD/Index Name]
153765-46-9 [RN]
3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-3-oxo-1,4-benzodioxin-6-yl]prop-2-enoyl]oxy}propanoic acid
3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-3-oxo-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enoyl]oxy}propanoic acid
Melitric acid B

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: 1.6±0.1 g/cm3
Boiling Point: 876.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 298.1±27.8 °C
Index of Refraction: 1.751
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 89.5±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

Click to predict properties on the Chemicalize site


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