ChemSpider 2D Image | 3,5-Dihydroxy-4-oxo-4H-pyran-2-carboxylic acid | C6H4O6

3,5-Dihydroxy-4-oxo-4H-pyran-2-carboxylic acid

  • Molecular FormulaC6H4O6
  • Average mass172.092 Da
  • Monoisotopic mass172.000793 Da
  • ChemSpider ID57487973

More details:

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

3,5-Dihydroxy-4-oxo-4H-pyran-2-carbonsäure [German] [ACD/IUPAC Name]
3,5-Dihydroxy-4-oxo-4H-pyran-2-carboxylic acid [ACD/IUPAC Name]
4H-Pyran-2-carboxylic acid, 3,5-dihydroxy-4-oxo- [ACD/Index Name]
Acide 3,5-dihydroxy-4-oxo-4H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
RUBIGINIC ACID

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

Density: 2.1±0.1 g/cm3
Boiling Point: 422.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±6.0 kJ/mol
Flash Point: 186.2±22.2 °C
Index of Refraction: 1.761
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -5.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 158.0±3.0 dyne/cm
Molar Volume: 80.8±3.0 cm3

Click to predict properties on the Chemicalize site


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