ChemSpider 2D Image | (2E)-(3,4-Dihydroxyphenyl)[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]acetic acid | C18H12O9

(2E)-(3,4-Dihydroxyphenyl)[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]acetic acid

  • Molecular FormulaC18H12O9
  • Average mass372.283 Da
  • Monoisotopic mass372.048126 Da
  • ChemSpider ID74025443

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-(3,4-Dihydroxyphenyl)[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanyliden]essigsäure [German] [ACD/IUPAC Name]
(2E)-(3,4-Dihydroxyphenyl)[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]acetic acid [ACD/IUPAC Name]
20988-30-1 [RN]
Acide (2E)-(3,4-dihydroxyphényl)[4-(3,4-dihydroxyphényl)-3-hydroxy-5-oxo-2(5H)-furanylidène]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]-3,4-dihydroxy-, (αE)- [ACD/Index Name]
Variegatic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 652.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 240.8±25.0 °C
Index of Refraction: 1.828
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.98
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 122.4±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

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