ChemSpider 2D Image | 2-(3-Boronophenyl)acetic acid | C8H9BO4

2-(3-Boronophenyl)acetic acid

  • Molecular FormulaC8H9BO4
  • Average mass179.966 Da
  • Monoisotopic mass180.059387 Da
  • ChemSpider ID11413785

More details:

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

[3-(Dihydroxyboryl)phenyl]acetic acid [ACD/IUPAC Name]
[3-(Dihydroxyboryl)phenyl]essigsäure [German] [ACD/IUPAC Name]
2-(3-Boronophenyl)acetic acid
3-(Carboxymethyl)benzeneboronic acid
914397-60-7 [RN]
Acide [3-(dihydroxyboryl)phényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-borono- [ACD/Index Name]
MFCD08704669 [MDL number]
(3-Boronophenyl)acetic acid
[3-(DIHYDROXYBORANYL)PHENYL]ACETIC ACID
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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: 433.8±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.7±3.0 kJ/mol
    Flash Point: 216.1±29.3 °C
    Index of Refraction: 1.571
    Molar Refractivity: 44.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.88
    ACD/LogD (pH 5.5): -0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.78
    ACD/LogD (pH 7.4): -2.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 58.8±5.0 dyne/cm
    Molar Volume: 134.4±5.0 cm3

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