ChemSpider 2D Image | Methyl (4E)-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxobutanoate | C9H8O6

Methyl (4E)-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxobutanoate

  • Molecular FormulaC9H8O6
  • Average mass212.156 Da
  • Monoisotopic mass212.032089 Da
  • ChemSpider ID24207531

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(4-Hydroxy-5-oxo-2(5H)-furanylidène)-3-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxo-, methyl ester, (4E)- [ACD/Index Name]
Methyl (4E)-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxobutanoate [ACD/IUPAC Name]
Methyl-(4E)-4-(4-hydroxy-5-oxo-2(5H)-furanyliden)-3-oxobutanoat [German] [ACD/IUPAC Name]
(E)-methyl 4-(4-hydroxy-5-oxofuran-2(5H)-ylidene)-3-oxobutanoate
351069-92-6 [RN]
Butanoic acid, 4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-3-oxo-, methyl ester, (4E)- (9CI)
Methyl (4E)-4-(4-hydroxy-5-oxo-2(5H)furanylidene)-3-oxobutanoate
METHYL 4-[(2E)-4-HYDROXY-5-OXOFURAN-2-YLIDENE]-3-OXOBUTANOATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 372.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.6±6.0 kJ/mol
Flash Point: 151.1±21.4 °C
Index of Refraction: 1.648
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 86.3±3.0 dyne/cm
Molar Volume: 131.9±3.0 cm3

Click to predict properties on the Chemicalize site


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