ChemSpider 2D Image | [3-(4,4-Diethoxy-3-oxo-1-butyn-1-yl)-1,2-oxazol-5-yl]boronic acid | C11H14BNO6

[3-(4,4-Diethoxy-3-oxo-1-butyn-1-yl)-1,2-oxazol-5-yl]boronic acid

  • Molecular FormulaC11H14BNO6
  • Average mass267.043 Da
  • Monoisotopic mass267.091431 Da
  • ChemSpider ID85787799

More details:

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

[3-(4,4-Diethoxy-3-oxo-1-butin-1-yl)-1,2-oxazol-5-yl]borsäure [German] [ACD/IUPAC Name]
[3-(4,4-Diethoxy-3-oxo-1-butyn-1-yl)-1,2-oxazol-5-yl]boronic acid [ACD/IUPAC Name]
Acide [3-(4,4-diéthoxy-3-oxo-1-butyn-1-yl)-1,2-oxazol-5-yl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(4,4-diethoxy-3-oxo-1-butyn-1-yl)-5-isoxazolyl]- [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: 477.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.3±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 62.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 87.38
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.71
Polar Surface Area: 102 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 206.5±5.0 cm3

Click to predict properties on the Chemicalize site


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