ChemSpider 2D Image | (Z)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)-2(3H)-furanone | C17H12O6

(Z)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)-2(3H)-furanone

  • Molecular FormulaC17H12O6
  • Average mass312.274 Da
  • Monoisotopic mass312.063385 Da
  • ChemSpider ID10775794

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-(3,4-Dihydroxybenzyliden)-5-(3,4-dihydroxyphenyl)-2(3H)-furanon [German] [ACD/IUPAC Name]
(3Z)-3-(3,4-Dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)-2(3H)-furanone [ACD/IUPAC Name]
(3Z)-3-(3,4-Dihydroxybenzylidène)-5-(3,4-dihydroxyphényl)-2(3H)-furanone [French] [ACD/IUPAC Name]
(Z)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)-2(3H)-furanone
2(3H)-Furanone, 5-(3,4-dihydroxyphenyl)-3-[(3,4-dihydroxyphenyl)methylene]-, (3Z)- [ACD/Index Name]
(3Z)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)furan-2(3H)-one
  • Miscellaneous

    • Chemical Class:

      A butenolide that is furan-2(3<element>H</element>)-one substituted by a 3,4-dihydroxybenzylidene group at position 3 and a 3,4-dihydroxyphenyl group at position 5. It has been isolated from the roots of <ital>Scorzonera judaica</ital>. ChEBI CHEBI:68131
      A butenolide that is furan-2(3H)-one substituted by a 3,4-dihydroxybenzylidene group at position 3 and a 3,4-dihydroxyphenyl group at position 5. It has been isolated from the roots of Scorzonera juda ica. ChEBI CHEBI:68131
      A butenolide that is furan-2(3H)-one substituted by a 3,4-dihydroxybenzylidene group at position 3 and a 3,4-dihydroxyphenyl group at position 5. It has been isolated from the roots; of Scorzonera ju daica. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68131

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

Density: 1.6±0.1 g/cm3
Boiling Point: 699.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 265.0±25.0 °C
Index of Refraction: 1.797
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.05
ACD/KOC (pH 5.5): 388.03
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.39
ACD/KOC (pH 7.4): 365.77
Polar Surface Area: 107 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 94.5±3.0 dyne/cm
Molar Volume: 193.2±3.0 cm3

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