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

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

  • Molecular FormulaC14H21BO5
  • Average mass280.125 Da
  • Monoisotopic mass280.148193 Da
  • ChemSpider ID28468625

More details:






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

4-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}-2-methylbenzoesäure [German] [ACD/IUPAC Name]
4-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}-2-methylbenzoic acid [ACD/IUPAC Name]
Acide 4-{hydroxy[(3-hydroxy-2,3-diméthyl-2-butanyl)oxy]boryl}-2-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[hydroxy(2-hydroxy-1,1,2-trimethylpropoxy)boryl]-2-methyl- [ACD/Index Name]
4-Isothiocyanato-N-(5-methylisoxazol-3-yl)-benzenesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 438.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 218.9±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 13.35
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 239.0±5.0 cm3

Click to predict properties on the Chemicalize site






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