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Search term: 28289711 (Found by CSID)
ChemSpider 2D Image | Methyl 4-chloro-3-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate | C18H17ClO8

Methyl 4-chloro-3-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate

  • Molecular FormulaC18H17ClO8
  • Average mass396.776 Da
  • Monoisotopic mass396.061188 Da
  • ChemSpider ID28289711

More details:

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4-Chloro-3-hydroxy-2-[3-hydroxy-2-(méthoxycarbonyl)-5-méthylphénoxy]-5-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-3-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxy-, methyl ester [ACD/Index Name]
Methyl 4-chloro-3-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate [ACD/IUPAC Name]
Methyl-4-chlor-3-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoat [German] [ACD/IUPAC Name]
pestaloether A
pestalotether A
Pestalotethers A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 256.6±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 622.64
ACD/KOC (pH 5.5): 3314.25
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 46.15
ACD/KOC (pH 7.4): 245.65
Polar Surface Area: 112 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 284.9±3.0 cm3

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