ChemSpider 2D Image | (2Z,5E)-2-Hydroxy-4-oxo-2,5-heptadienedioic acid | C7H6O6

(2Z,5E)-2-Hydroxy-4-oxo-2,5-heptadienedioic acid

  • Molecular FormulaC7H6O6
  • Average mass186.119 Da
  • Monoisotopic mass186.016434 Da
  • ChemSpider ID68028772

More details:

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

(2Z,5E)-2-Hydroxy-4-oxo-2,5-heptadiendisäure [German] [ACD/IUPAC Name]
(2Z,5E)-2-Hydroxy-4-oxo-2,5-heptadienedioic acid [ACD/IUPAC Name]
2,5-Heptadienedioic acid, 2-hydroxy-4-oxo-, (2Z,5E)- [ACD/Index Name]
Acide (2Z,5E)-2-hydroxy-4-oxo-2,5-heptadiènedioïque [French] [ACD/IUPAC Name]
140866-22-4 [RN]
2-Hydroxy-4-oxohepta-2,5-dienedioic acid
Fumarylpyruvate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 449.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.7±6.0 kJ/mol
Flash Point: 239.9±25.2 °C
Index of Refraction: 1.596
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 115.0±3.0 cm3

Click to predict properties on the Chemicalize site


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