ChemSpider 2D Image | [1-(1-Hydroxyvinyl)-2-pyrrolidinyl]boronic acid | C6H12BNO3

[1-(1-Hydroxyvinyl)-2-pyrrolidinyl]boronic acid

  • Molecular FormulaC6H12BNO3
  • Average mass156.975 Da
  • Monoisotopic mass157.091019 Da
  • ChemSpider ID95690696

More details:






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

[1-(1-Hydroxyvinyl)-2-pyrrolidinyl]boronic acid [ACD/IUPAC Name]
[1-(1-Hydroxyvinyl)-2-pyrrolidinyl]borsäure [German] [ACD/IUPAC Name]
Acide [1-(1-hydroxyvinyl)-2-pyrrolidinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-(1-hydroxyethenyl)-2-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 188.0±30.7 °C
Index of Refraction: 1.532
Molar Refractivity: 39.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.86
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.51
Polar Surface Area: 64 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 126.6±5.0 cm3

Click to predict properties on the Chemicalize site






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