ChemSpider 2D Image | 3-Boronobenzenepentanoic acid | C11H15BO4

3-Boronobenzenepentanoic acid

  • Molecular FormulaC11H15BO4
  • Average mass222.045 Da
  • Monoisotopic mass222.106339 Da
  • ChemSpider ID26460955

More details:

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

1072946-56-5 [RN]
3-Boronobenzenepentanoic acid
5-(3-boronophenyl)pentanoic acid
5-[3-(Dihydroxyboryl)phenyl]pentanoic acid [ACD/IUPAC Name]
5-[3-(Dihydroxyboryl)phenyl]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[3-(dihydroxyboryl)phényl]pentanoïque [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 3-borono- [ACD/Index Name]
[1072946-56-5] [RN]
3-Methyl-4-nitro-1-propyl-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
5-(3-Boronophenyl)pentanoicacid
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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: 1.2±0.1 g/cm3
    Boiling Point: 476.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.9±3.0 kJ/mol
    Flash Point: 241.7±31.5 °C
    Index of Refraction: 1.546
    Molar Refractivity: 58.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 2.38
    ACD/KOC (pH 5.5): 37.45
    ACD/LogD (pH 7.4): -0.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 51.8±5.0 dyne/cm
    Molar Volume: 183.6±5.0 cm3

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