ChemSpider 2D Image | 3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxane-2-carboxylic acid | C6H6O7

3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxane-2-carboxylic acid

  • Molecular FormulaC6H6O7
  • Average mass190.108 Da
  • Monoisotopic mass190.011353 Da
  • ChemSpider ID60651593

More details:






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

1,4-Dioxane-2-carboxylic acid, 3-(hydroxymethyl)-5,6-dioxo- [ACD/Index Name]
3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxan-2-carbonsäure [German] [ACD/IUPAC Name]
3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxane-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-(hydroxyméthyl)-5,6-dioxo-1,4-dioxane-2-carboxylique [French] [ACD/IUPAC Name]
1822601-67-1 [RN]
MFCD24514313

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

Density: 1.7±0.1 g/cm3
Boiling Point: 545.2±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 234.6±21.7 °C
Index of Refraction: 1.522
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 112.4±3.0 cm3

Click to predict properties on the Chemicalize site






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