ChemSpider 2D Image | 4-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}phenyl acetate | C14H21BO5

4-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}phenyl acetate

  • Molecular FormulaC14H21BO5
  • Average mass280.125 Da
  • Monoisotopic mass280.148193 Da
  • ChemSpider ID25949571

More details:






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

4-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}phenyl acetate [ACD/IUPAC Name]
4-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{hydroxy[(3-hydroxy-2,3-diméthyl-2-butanyl)oxy]boryl}phényle [French] [ACD/IUPAC Name]
Boronic acid, B-[4-(acetyloxy)phenyl]-, mono(2-hydroxy-1,1,2-trimethylpropyl) ester [ACD/Index Name]
480424-70-2 [RN]
4-Acetoxyphenylboronic acid, pinacol ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 394.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 192.1±30.7 °C
Index of Refraction: 1.508
Molar Refractivity: 73.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.47
ACD/KOC (pH 5.5): 445.15
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 13.74
ACD/KOC (pH 7.4): 172.41
Polar Surface Area: 76 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

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