ChemSpider 2D Image | (2-Oxo-2H-chromen-3-yl)boronic acid | C9H7BO4

(2-Oxo-2H-chromen-3-yl)boronic acid

  • Molecular FormulaC9H7BO4
  • Average mass189.960 Da
  • Monoisotopic mass190.043747 Da
  • ChemSpider ID67165676

More details:

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

(2-Oxo-2H-chromen-3-yl)boronic acid [ACD/IUPAC Name]
(2-Oxo-2H-chromen-3-yl)borsäure [German] [ACD/IUPAC Name]
Acide (2-oxo-2H-chromén-3-yl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(2-oxo-2H-1-benzopyran-3-yl)- [ACD/Index Name]
Coumarin Boronic Acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 450.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 226.4±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 46.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.36
ACD/KOC (pH 5.5): 185.47
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.35
ACD/KOC (pH 7.4): 167.38
Polar Surface Area: 67 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 133.9±5.0 cm3

Click to predict properties on the Chemicalize site


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