ChemSpider 2D Image | (3,5-bis(ethoxycarbonyl)phenyl)boronic acid | C12H15BO6

(3,5-bis(ethoxycarbonyl)phenyl)boronic acid

  • Molecular FormulaC12H15BO6
  • Average mass266.055 Da
  • Monoisotopic mass266.096161 Da
  • ChemSpider ID26666614

More details:

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

(3,5-bis(ethoxycarbonyl)phenyl)boronic acid
[3,5-Bis(ethoxycarbonyl)phenyl]boronic acid [ACD/IUPAC Name]
[3,5-Bis(ethoxycarbonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
1,3-Benzenedicarboxylic acid, 5-borono-, diethyl ester [ACD/Index Name]
932378-94-4 [RN]
Acide [3,5-bis(éthoxycarbonyl)phényl]boronique [French] [ACD/IUPAC Name]
(3,5-bis(ethoxycarbonyl)phenyl)boronic acid???WS202795???
3,5-bis(ethoxycarbonyl)phenylboronic acid
3,5-di(ethoxycarbonyl)phenylboronic acid
benzene-1,3-dicarboxylethylester-5-boronic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 452.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.9±3.0 kJ/mol
    Flash Point: 227.2±31.5 °C
    Index of Refraction: 1.525
    Molar Refractivity: 64.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 2.34
    ACD/BCF (pH 5.5): 35.33
    ACD/KOC (pH 5.5): 442.86
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 10.96
    ACD/KOC (pH 7.4): 137.40
    Polar Surface Area: 93 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 49.2±5.0 dyne/cm
    Molar Volume: 211.3±5.0 cm3

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