ChemSpider 2D Image | 2-Hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-(hydroxymethyl)benzoic acid | C17H16O9

2-Hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-(hydroxymethyl)benzoic acid

  • Molecular FormulaC17H16O9
  • Average mass364.303 Da
  • Monoisotopic mass364.079437 Da
  • ChemSpider ID58869702

More details:

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

2-Hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-(hydroxymethyl)benzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-(hydroxymethyl)benzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-6-[4-hydroxy-2-méthoxy-6-(méthoxycarbonyl)phénoxy]-4-(hydroxyméthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-carboxy-3-hydroxy-5-(hydroxymethyl)phenoxy]-5-hydroxy-3-methoxy-, 1-methyl ester [ACD/Index Name]
5-hydroxymethylasterric acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 224.2±25.0 °C
Index of Refraction: 1.640
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

Click to predict properties on the Chemicalize site


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