ChemSpider 2D Image | [(3,4-Dioxo-1,5-cyclohexadien-1-yl)methyl]boronic acid | C7H7BO4

[(3,4-Dioxo-1,5-cyclohexadien-1-yl)methyl]boronic acid

  • Molecular FormulaC7H7BO4
  • Average mass165.939 Da
  • Monoisotopic mass166.043747 Da
  • ChemSpider ID74921302

More details:






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

[(3,4-Dioxo-1,5-cyclohexadien-1-yl)methyl]boronic acid [ACD/IUPAC Name]
[(3,4-Dioxo-1,5-cyclohexadien-1-yl)methyl]borsäure [German] [ACD/IUPAC Name]
Acide [(3,4-dioxo-1,5-cyclohexadién-1-yl)méthyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(3,4-dioxo-1,5-cyclohexadien-1-yl)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 389.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 189.3±29.6 °C
Index of Refraction: 1.541
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.19
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.10
Polar Surface Area: 75 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 122.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement