ChemSpider 2D Image | (2-Formyl-1,3-cyclohexadien-1-yl)boronic acid | C7H9BO3

(2-Formyl-1,3-cyclohexadien-1-yl)boronic acid

  • Molecular FormulaC7H9BO3
  • Average mass151.956 Da
  • Monoisotopic mass152.064468 Da
  • ChemSpider ID26233788

More details:

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

(2-Formyl-1,3-cyclohexadien-1-yl)boronic acid [ACD/IUPAC Name]
(2-Formyl-1,3-cyclohexadien-1-yl)borsäure [German] [ACD/IUPAC Name]
Acide (2-formyl-1,3-cyclohexadién-1-yl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(2-formyl-1,3-cyclohexadien-1-yl)- [ACD/Index Name]
2-formylcyclohexa-1,3-dienylboronic acid
40138-16-7 [RN]
MFCD20126375 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 333.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 155.4±30.7 °C
Index of Refraction: 1.522
Molar Refractivity: 38.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 71.12
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 69.15
Polar Surface Area: 58 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 126.7±5.0 cm3

Click to predict properties on the Chemicalize site


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