ChemSpider 2D Image | {2-(Methoxycarbonyl)-6-[(2-methyl-2-propanyl)oxy]-4-pyridinyl}boronic acid | C11H16BNO5

{2-(Methoxycarbonyl)-6-[(2-methyl-2-propanyl)oxy]-4-pyridinyl}boronic acid

  • Molecular FormulaC11H16BNO5
  • Average mass253.059 Da
  • Monoisotopic mass253.112152 Da
  • ChemSpider ID30848568

More details:

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

{2-(Methoxycarbonyl)-6-[(2-methyl-2-propanyl)oxy]-4-pyridinyl}boronic acid [ACD/IUPAC Name]
{2-(Methoxycarbonyl)-6-[(2-methyl-2-propanyl)oxy]-4-pyridinyl}borsäure [German] [ACD/IUPAC Name]
2-Pyridinecarboxylic acid, 4-borono-6-(1,1-dimethylethoxy)-, methyl ester [ACD/Index Name]
Acide {2-(méthoxycarbonyl)-6-[(2-méthyl-2-propanyl)oxy]-4-pyridinyl}boronique [French] [ACD/IUPAC Name]
[2-(METHOXYCARBONYL)-6-(TERT-BUTOXY)PYRIDIN-4-YL]BORONIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 438.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 218.9±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 62.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 128.82
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.09
Polar Surface Area: 89 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 207.6±5.0 cm3

Click to predict properties on the Chemicalize site


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