ChemSpider 2D Image | (2E)-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene](4-hydroxyphenyl)acetic acid | C18H12O8

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

  • Molecular FormulaC18H12O8
  • Average mass356.283 Da
  • Monoisotopic mass356.053223 Da
  • ChemSpider ID30776773
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanyliden](4-hydroxyphenyl)essigsäure [German] [ACD/IUPAC Name]
(2E)-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene](4-hydroxyphenyl)acetic acid [ACD/IUPAC Name]
Acide (2E)-[4-(3,4-dihydroxyphényl)-3-hydroxy-5-oxo-2(5H)-furanylidène](4-hydroxyphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]-4-hydroxy-, (αE)- [ACD/Index Name]
[(2E)-4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid
2-[(2E)-4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2,5-dihydrofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid
25287-88-1 [RN]
Xerocomic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 601.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 222.3±25.0 °C
Index of Refraction: 1.795
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 108.3±3.0 dyne/cm
Molar Volume: 204.3±3.0 cm3

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