ChemSpider 2D Image | (3-{[2-(2-Hydroxy-3-butyn-2-yl)phenyl]ethynyl}phenyl)boronic acid | C18H15BO3

(3-{[2-(2-Hydroxy-3-butyn-2-yl)phenyl]ethynyl}phenyl)boronic acid

  • Molecular FormulaC18H15BO3
  • Average mass290.121 Da
  • Monoisotopic mass290.111420 Da
  • ChemSpider ID82996376

More details:

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

(3-{[2-(2-Hydroxy-3-butin-2-yl)phenyl]ethinyl}phenyl)borsäure [German] [ACD/IUPAC Name]
(3-{[2-(2-Hydroxy-3-butyn-2-yl)phenyl]ethynyl}phenyl)boronic acid [ACD/IUPAC Name]
Acide (3-{[2-(2-hydroxy-3-butyn-2-yl)phényl]éthynyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[2-[2-(1-hydroxy-1-methyl-2-propyn-1-yl)phenyl]ethynyl]phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.4±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.13
ACD/KOC (pH 5.5): 1447.84
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 134.24
ACD/KOC (pH 7.4): 1061.28
Polar Surface Area: 61 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 230.5±5.0 cm3

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