ChemSpider 2D Image | (3-{[(2E)-3-Hydroxy-3-methoxy-2-propen-1-yl]carbamoyl}phenyl)boronic acid | C11H14BNO5

(3-{[(2E)-3-Hydroxy-3-methoxy-2-propen-1-yl]carbamoyl}phenyl)boronic acid

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID95544246

More details:

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

(3-{[(2E)-3-Hydroxy-3-methoxy-2-propen-1-yl]carbamoyl}phenyl)boronic acid [ACD/IUPAC Name]
(3-{[(2E)-3-Hydroxy-3-methoxy-2-propen-1-yl]carbamoyl}phenyl)borsäure [German] [ACD/IUPAC Name]
Acide (3-{[(2E)-3-hydroxy-3-méthoxy-2-propén-1-yl]carbamoyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[[[(2E)-3-hydroxy-3-methoxy-2-propen-1-yl]amino]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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.38
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 33.74
Polar Surface Area: 99 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 190.6±5.0 cm3

Click to predict properties on the Chemicalize site


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