ChemSpider 2D Image | 2,6-Dihydroxy-3-{[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenoxy]carbonyl}-4-methylbenzoic acid | C19H18O9

2,6-Dihydroxy-3-{[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenoxy]carbonyl}-4-methylbenzoic acid

  • Molecular FormulaC19H18O9
  • Average mass390.341 Da
  • Monoisotopic mass390.095093 Da
  • ChemSpider ID78435368

More details:

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

1,3-Benzenedicarboxylic acid, 2,4-dihydroxy-6-methyl-, 1-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl] ester [ACD/Index Name]
2,6-Dihydroxy-3-{[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenoxy]carbonyl}-4-methylbenzoesäure [German] [ACD/IUPAC Name]
2,6-Dihydroxy-3-{[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenoxy]carbonyl}-4-methylbenzoic acid [ACD/IUPAC Name]
Acide 2,6-dihydroxy-3-{[3-hydroxy-4-(méthoxycarbonyl)-2,5-diméthylphénoxy]carbonyl}-4-méthylbenzoïque [French] [ACD/IUPAC Name]
Cladonioidesin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 609.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 217.4±25.0 °C
Index of Refraction: 1.643
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 14.05
ACD/KOC (pH 5.5): 29.37
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 13.73
ACD/KOC (pH 7.4): 28.72
Polar Surface Area: 151 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

Click to predict properties on the Chemicalize site


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