ChemSpider 2D Image | [4-({2-[2-(2-Furyl)-2-oxoethyl]-1-pyrrolidinyl}carbonyl)phenyl]boronic acid | C17H18BNO5

[4-({2-[2-(2-Furyl)-2-oxoethyl]-1-pyrrolidinyl}carbonyl)phenyl]boronic acid

  • Molecular FormulaC17H18BNO5
  • Average mass327.139 Da
  • Monoisotopic mass327.127808 Da
  • ChemSpider ID72898615

More details:

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

[4-({2-[2-(2-Furyl)-2-oxoethyl]-1-pyrrolidinyl}carbonyl)phenyl]boronic acid [ACD/IUPAC Name]
[4-({2-[2-(2-Furyl)-2-oxoethyl]-1-pyrrolidinyl}carbonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [4-({2-[2-(2-furyl)-2-oxoéthyl]-1-pyrrolidinyl}carbonyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[[2-[2-(2-furanyl)-2-oxoethyl]-1-pyrrolidinyl]carbonyl]phenyl]- [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: 579.8±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.4±30.9 °C
Index of Refraction: 1.608
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.61
ACD/KOC (pH 5.5): 103.77
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 89.27
Polar Surface Area: 91 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 245.6±5.0 cm3

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