ChemSpider 2D Image | {5-[(3-Hydroxy-1-azetidinyl)carbonyl]-2-methoxyphenyl}boronic acid | C11H14BNO5

{5-[(3-Hydroxy-1-azetidinyl)carbonyl]-2-methoxyphenyl}boronic acid

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID62014007

More details:

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

{5-[(3-Hydroxy-1-azetidinyl)carbonyl]-2-methoxyphenyl}boronic acid [ACD/IUPAC Name]
{5-[(3-Hydroxy-1-azetidinyl)carbonyl]-2-methoxyphenyl}borsäure [German] [ACD/IUPAC Name]
Acide {5-[(3-hydroxy-1-azétidinyl)carbonyl]-2-méthoxyphényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-[(3-hydroxy-1-azetidinyl)carbonyl]-2-methoxyphenyl]- [ACD/Index Name]
1448869-93-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 291.5±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 61.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.26
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.31
Polar Surface Area: 90 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 177.6±5.0 cm3

Click to predict properties on the Chemicalize site


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