ChemSpider 2D Image | (4-{2-[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]-2-oxoethyl}phenyl)boronic acid | C14H21BO5

(4-{2-[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]-2-oxoethyl}phenyl)boronic acid

  • Molecular FormulaC14H21BO5
  • Average mass280.125 Da
  • Monoisotopic mass280.148193 Da
  • ChemSpider ID27474078

More details:






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

(4-{2-[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]-2-oxoethyl}phenyl)boronic acid [ACD/IUPAC Name]
(4-{2-[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]-2-oxoethyl}phenyl)borsäure [German] [ACD/IUPAC Name]
Acide (4-{2-[(3-hydroxy-2,3-diméthyl-2-butanyl)oxy]-2-oxoéthyl}phényl)boronique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-borono-, 2-hydroxy-1,1,2-trimethylpropyl ester [ACD/Index Name]
797755-07-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 464.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.6±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.21
ACD/KOC (pH 5.5): 277.78
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.10
ACD/KOC (pH 7.4): 260.79
Polar Surface Area: 87 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 239.4±5.0 cm3

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