ChemSpider 2D Image | {3-Methoxy-5-[3-(3-methylphenoxy)-1-propyn-1-yl]-4-pyridinyl}boronic acid | C16H16BNO4

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

  • Molecular FormulaC16H16BNO4
  • Average mass297.113 Da
  • Monoisotopic mass297.117249 Da
  • ChemSpider ID83230460

More details:

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

{3-Methoxy-5-[3-(3-methylphenoxy)-1-propin-1-yl]-4-pyridinyl}borsäure [German] [ACD/IUPAC Name]
{3-Methoxy-5-[3-(3-methylphenoxy)-1-propyn-1-yl]-4-pyridinyl}boronic acid [ACD/IUPAC Name]
Acide {3-méthoxy-5-[3-(3-méthylphénoxy)-1-propyn-1-yl]-4-pyridinyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-methoxy-5-[3-(3-methylphenoxy)-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: 557.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.6±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 96.70
ACD/KOC (pH 5.5): 910.44
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 30.29
ACD/KOC (pH 7.4): 285.19
Polar Surface Area: 72 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 236.2±5.0 cm3

Click to predict properties on the Chemicalize site


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