ChemSpider 2D Image | 3-[2-(Dihydroxyboryl)phenyl]-2-propynoic acid | C9H7BO4

3-[2-(Dihydroxyboryl)phenyl]-2-propynoic acid

  • Molecular FormulaC9H7BO4
  • Average mass189.960 Da
  • Monoisotopic mass190.043747 Da
  • ChemSpider ID92195135

More details:

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

2-Propynoic acid, 3-(2-boronophenyl)- [ACD/Index Name]
3-[2-(Dihydroxyboryl)phenyl]-2-propinsäure [German] [ACD/IUPAC Name]
3-[2-(Dihydroxyboryl)phenyl]-2-propynoic acid [ACD/IUPAC Name]
Acide 3-[2-(dihydroxyboryl)phényl]-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 470.2±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.2±30.4 °C
Index of Refraction: 1.615
Molar Refractivity: 46.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 134.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement