ChemSpider 2D Image | Methyl 2,3,6-trihydroxybenzoate | C8H8O5

Methyl 2,3,6-trihydroxybenzoate

  • Molecular FormulaC8H8O5
  • Average mass184.146 Da
  • Monoisotopic mass184.037170 Da
  • ChemSpider ID34523662

More details:

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

2,3,6-Trihydroxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,6-trihydroxy-, methyl ester [ACD/Index Name]
Methyl 2,3,6-trihydroxybenzoate [ACD/IUPAC Name]
Methyl-2,3,6-trihydroxybenzoat [German] [ACD/IUPAC Name]
61885-19-6 [RN]
MFCD24714570

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

Density: 1.5±0.1 g/cm3
Boiling Point: 347.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 144.8±20.0 °C
Index of Refraction: 1.631
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.07
ACD/KOC (pH 5.5): 206.93
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.87
ACD/KOC (pH 7.4): 203.56
Polar Surface Area: 87 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 122.6±3.0 cm3

Click to predict properties on the Chemicalize site


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