ChemSpider 2D Image | (3E)-3-(1-Hydroxyethylidene)-2H-pyran-2,4,6(3H,5H)-trione | C7H6O5

(3E)-3-(1-Hydroxyethylidene)-2H-pyran-2,4,6(3H,5H)-trione

  • Molecular FormulaC7H6O5
  • Average mass170.120 Da
  • Monoisotopic mass170.021530 Da
  • ChemSpider ID24194045

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-(1-Hydroxyethyliden)-2H-pyran-2,4,6(3H,5H)-trion [German] [ACD/IUPAC Name]
(3E)-3-(1-Hydroxyethylidene)-2H-pyran-2,4,6(3H,5H)-trione [ACD/IUPAC Name]
(3E)-3-(1-Hydroxyéthylidène)-2H-pyrane-2,4,6(3H,5H)-trione [French] [ACD/IUPAC Name]
2H-Pyran-2,4,6(3H,5H)-trione, 3-(1-hydroxyethylidene)-, (3E)- [ACD/Index Name]
2-(dihydroxymethyl)-2,5-dihydrofuran-2,5-diol
2H-Pyran-2,4,6(3H,5H)-trione, 3-(1-hydroxyethylidene)-, (3E)- (9CI)
368876-55-5 [RN]
368876-56-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 362.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 156.3±21.4 °C
Index of Refraction: 1.558
Molar Refractivity: 35.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 109.9±3.0 cm3

Click to predict properties on the Chemicalize site


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