ChemSpider 2D Image | (3-{[(1E)-2-Ethoxy-2-hydroxyethylidene]carbamoyl}phenyl)boronic acid | C11H14BNO5

(3-{[(1E)-2-Ethoxy-2-hydroxyethylidene]carbamoyl}phenyl)boronic acid

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID95666626

  • Double-bond stereo - Double-bond stereo

More details:

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

(3-{[(1E)-2-Ethoxy-2-hydroxyethyliden]carbamoyl}phenyl)borsäure [German] [ACD/IUPAC Name]
(3-{[(1E)-2-Ethoxy-2-hydroxyethylidene]carbamoyl}phenyl)boronic acid [ACD/IUPAC Name]
Acide (3-{[(1E)-2-éthoxy-2-hydroxyéthylidène]carbamoyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[[[(1E)-2-ethoxy-2-hydroxyethylidene]amino]carbonyl]phenyl]- [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: 425.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.9±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 62.96
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 39.59
Polar Surface Area: 99 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 205.7±7.0 cm3

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