ChemSpider 2D Image | {3-[(4-Methoxy-4-oxobutanoyl)amino]phenyl}boronic acid | C11H14BNO5

{3-[(4-Methoxy-4-oxobutanoyl)amino]phenyl}boronic acid

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID68428304

More details:

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

{3-[(4-Methoxy-4-oxobutanoyl)amino]phenyl}boronic acid [ACD/IUPAC Name]
{3-[(4-Methoxy-4-oxobutanoyl)amino]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {3-[(4-méthoxy-4-oxobutanoyl)amino]phényl}boronique [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(3-boronophenyl)amino]-4-oxo-, methyl ester [ACD/Index Name]
[3-(4-METHOXY-4-OXOBUTANAMIDO)PHENYL]BORONIC ACID
3-(4-METHOXY-4-OXOBUTANAMIDO)PHENYLBORONIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.543
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 70.25
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 56.64
Polar Surface Area: 96 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 196.9±5.0 cm3

Click to predict properties on the Chemicalize site


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