ChemSpider 2D Image | {2-[3-(2-Hydroxyethoxy)-1-propyn-1-yl]-3-methoxy-4-pyridinyl}boronic acid | C11H14BNO5

{2-[3-(2-Hydroxyethoxy)-1-propyn-1-yl]-3-methoxy-4-pyridinyl}boronic acid

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID91538317

More details:

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

{2-[3-(2-Hydroxyethoxy)-1-propin-1-yl]-3-methoxy-4-pyridinyl}borsäure [German] [ACD/IUPAC Name]
{2-[3-(2-Hydroxyethoxy)-1-propyn-1-yl]-3-methoxy-4-pyridinyl}boronic acid [ACD/IUPAC Name]
Acide {2-[3-(2-hydroxyéthoxy)-1-propyn-1-yl]-3-méthoxy-4-pyridinyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-[3-(2-hydroxyethoxy)-1-propyn-1-yl]-3-methoxy-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: 528.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.4±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 61.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 51.35
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.70
Polar Surface Area: 92 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 191.0±5.0 cm3

Click to predict properties on the Chemicalize site


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