ChemSpider 2D Image | 3-(Hexopyranosyloxy)benzoic acid | C13H16O8

3-(Hexopyranosyloxy)benzoic acid

  • Molecular FormulaC13H16O8
  • Average mass300.261 Da
  • Monoisotopic mass300.084503 Da
  • ChemSpider ID25032741

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(Hexopyranosyloxy)benzoesäure [German] [ACD/IUPAC Name]
3-(Hexopyranosyloxy)benzoic acid [ACD/IUPAC Name]
Acide 3-(hexopyranosyloxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(hexopyranosyloxy)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 604.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 232.0±25.0 °C
Index of Refraction: 1.649
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 76.6±3.0 dyne/cm
Molar Volume: 189.0±3.0 cm3

Click to predict properties on the Chemicalize site


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