ChemSpider 2D Image | N-(3-Boronobenzoyl)glycine 1-ethyl ester | C11H14BNO5

N-(3-Boronobenzoyl)glycine 1-ethyl ester

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID26460947

More details:

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

(3-((2-Ethoxy-2-oxoethyl)carbamoyl)-phenyl)boronic acid
1072945-97-1 [RN]
Ethyl N-[3-(dihydroxyboryl)benzoyl]glycinate [ACD/IUPAC Name]
Ethyl-N-[3-(dihydroxyboryl)benzoyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-(3-boronobenzoyl)-, ethyl ester [ACD/Index Name]
N-(3-Boronobenzoyl)glycine 1-ethyl ester
N-[3-(Dihydroxyboryl)benzoyl]glycinate d'éthyle [French] [ACD/IUPAC Name]
(3-((2-Ethoxy-2-oxoethyl)carbamoyl)phenyl)boronic acid
(3-((2-Ethoxy-2-oxoethyl)carbamoyl)phenyl)boronicacid
[1072945-97-1] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    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): 0.67
    ACD/BCF (pH 5.5): 1.91
    ACD/KOC (pH 5.5): 55.14
    ACD/LogD (pH 7.4): 0.53
    ACD/BCF (pH 7.4): 1.39
    ACD/KOC (pH 7.4): 40.17
    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

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