ChemSpider 2D Image | Methyl 3-{hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}benzoate | C14H21BO5

Methyl 3-{hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}benzoate

  • Molecular FormulaC14H21BO5
  • Average mass280.125 Da
  • Monoisotopic mass280.148193 Da
  • ChemSpider ID23954865

More details:






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

3-{Hydroxy[(3-hydroxy-2,3-diméthyl-2-butanyl)oxy]boryl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[hydroxy(2-hydroxy-1,1,2-trimethylpropoxy)boryl]-, methyl ester [ACD/Index Name]
Methyl 3-{hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}benzoate [ACD/IUPAC Name]
Methyl-3-{hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}benzoat [German] [ACD/IUPAC Name]
3-Methoxycarbonylphenylboronic Acid Pinacol Ester
3-Methoxycarbonylphenylboronicacidpinacolester
480425-35-2 [RN]
MFCD03789258 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 406.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 199.6±31.5 °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: 2.91
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.49
ACD/KOC (pH 5.5): 684.36
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 32.43
ACD/KOC (pH 7.4): 344.15
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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