ChemSpider 2D Image | (1-Acetyl-3-pyrrolidinyl)boronic acid | C6H12BNO3

(1-Acetyl-3-pyrrolidinyl)boronic acid

  • Molecular FormulaC6H12BNO3
  • Average mass156.975 Da
  • Monoisotopic mass157.091019 Da
  • ChemSpider ID112835530

More details:

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

(1-Acetyl-3-pyrrolidinyl)boronic acid [ACD/IUPAC Name]
(1-Acetyl-3-pyrrolidinyl)borsäure [German] [ACD/IUPAC Name]
Acide (1-acétyl-3-pyrrolidinyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(1-acetyl-3-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: 379.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 183.3±30.7 °C
Index of Refraction: 1.496
Molar Refractivity: 38.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.51
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.42
Polar Surface Area: 61 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 131.0±5.0 cm3

Click to predict properties on the Chemicalize site


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