ChemSpider 2D Image | {5-Methoxy-2-[3-(2-propyn-1-yloxy)-1-propyn-1-yl]-4-pyridinyl}boronic acid | C12H12BNO4

{5-Methoxy-2-[3-(2-propyn-1-yloxy)-1-propyn-1-yl]-4-pyridinyl}boronic acid

  • Molecular FormulaC12H12BNO4
  • Average mass245.039 Da
  • Monoisotopic mass245.085938 Da
  • ChemSpider ID96045216

More details:

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

{5-Methoxy-2-[3-(2-propin-1-yloxy)-1-propin-1-yl]-4-pyridinyl}borsäure [German] [ACD/IUPAC Name]
{5-Methoxy-2-[3-(2-propyn-1-yloxy)-1-propyn-1-yl]-4-pyridinyl}boronic acid [ACD/IUPAC Name]
Acide {5-méthoxy-2-[3-(2-propyn-1-yloxy)-1-propyn-1-yl]-4-pyridinyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-methoxy-2-[3-(2-propyn-1-yloxy)-1-propyn-1-yl]-4-pyridinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.7±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.55
ACD/KOC (pH 5.5): 157.56
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 20.08
Polar Surface Area: 72 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 194.7±5.0 cm3

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