ChemSpider 2D Image | 2-Formyl-3,4,5-trihydroxybenzoic acid | C8H6O6

2-Formyl-3,4,5-trihydroxybenzoic acid

  • Molecular FormulaC8H6O6
  • Average mass198.130 Da
  • Monoisotopic mass198.016434 Da
  • ChemSpider ID60746873

More details:

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

2-Formyl-3,4,5-trihydroxybenzoesäure [German] [ACD/IUPAC Name]
2-Formyl-3,4,5-trihydroxybenzoic acid [ACD/IUPAC Name]
Acide 2-formyl-3,4,5-trihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-formyl-3,4,5-trihydroxy- [ACD/Index Name]
82297-94-7 [RN]
MFCD20644682

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

Density: 1.8±0.1 g/cm3
Boiling Point: 453.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 242.0±25.2 °C
Index of Refraction: 1.777
Molar Refractivity: 45.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.22
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 118.7±3.0 dyne/cm
Molar Volume: 108.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement