ChemSpider 2D Image | [(2Z)-4-(Dimethylamino)-4-oxo-2-buten-2-yl]boronic acid | C6H12BNO3

[(2Z)-4-(Dimethylamino)-4-oxo-2-buten-2-yl]boronic acid

  • Molecular FormulaC6H12BNO3
  • Average mass156.975 Da
  • Monoisotopic mass157.091019 Da
  • ChemSpider ID74966056

More details:

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

[(2Z)-4-(Dimethylamino)-4-oxo-2-buten-2-yl]boronic acid [ACD/IUPAC Name]
[(2Z)-4-(Dimethylamino)-4-oxo-2-buten-2-yl]borsäure [German] [ACD/IUPAC Name]
Acide [(2Z)-4-(diméthylamino)-4-oxo-2-butén-2-yl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1Z)-3-(dimethylamino)-1-methyl-3-oxo-1-propen-1-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 341.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.7±6.0 kJ/mol
Flash Point: 160.1±28.4 °C
Index of Refraction: 1.474
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.63
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.50
Polar Surface Area: 61 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 142.3±3.0 cm3

Click to predict properties on the Chemicalize site


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