ChemSpider 2D Image | 3,3-Dihydroxy-2-propene-1,1,2-tricarboxylic acid | C6H6O8

3,3-Dihydroxy-2-propene-1,1,2-tricarboxylic acid

  • Molecular FormulaC6H6O8
  • Average mass206.107 Da
  • Monoisotopic mass206.006271 Da
  • ChemSpider ID95597778

More details:






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

2-Propene-1,1,2-tricarboxylic acid, 3,3-dihydroxy- [ACD/Index Name]
3,3-Dihydroxy-2-propen-1,1,2-tricarbonsäure [German] [ACD/IUPAC Name]
3,3-Dihydroxy-2-propene-1,1,2-tricarboxylic acid [ACD/IUPAC Name]
Acide 3,3-dihydroxy-2-propène-1,1,2-tricarboxylique [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 685.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 382.4±28.0 °C
Index of Refraction: 1.669
Molar Refractivity: 37.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.60
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 144.1±3.0 dyne/cm
Molar Volume: 100.1±3.0 cm3

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