ChemSpider 2D Image | 3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxane-2-carboxylate | C6H5O7

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

  • Molecular FormulaC6H5O7
  • Average mass189.100 Da
  • Monoisotopic mass189.004074 Da
  • ChemSpider ID128920384

  • Charge - Charge

More details:

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

1,4-Dioxane-2-carboxylic acid, 3-(hydroxymethyl)-5,6-dioxo-, ion(1-) [ACD/Index Name]
3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxan-2-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxane-2-carboxylate [ACD/IUPAC Name]
3-(Hydroxyméthyl)-5,6-dioxo-1,4-dioxane-2-carboxylate [French] [ACD/IUPAC Name]
2,3-cyclic oxalyl theronolactone
cyclic-2,3-O-oxalyl-L-threonate

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

Density:
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:
Molar Refractivity:
#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: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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