ChemSpider 2D Image | 4-Hydroxymethyl-3-methylphenylboronic acid | C8H11BO3

4-Hydroxymethyl-3-methylphenylboronic acid

  • Molecular FormulaC8H11BO3
  • Average mass165.982 Da
  • Monoisotopic mass166.080124 Da
  • ChemSpider ID22529516

More details:

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

(4-(Hydroxymethyl)-3-methylphenyl)boronic acid
[4-(Hydroxymethyl)-3-methylphenyl]boronic acid [ACD/IUPAC Name]
[4-(Hydroxymethyl)-3-methylphenyl]borsäure [German] [ACD/IUPAC Name]
1218790-88-5 [RN]
4-Hydroxymethyl-3-methylphenylboronic acid
Acide [4-(hydroxyméthyl)-3-méthylphényl]boronique [French] [ACD/IUPAC Name]
B-[4-(Hydroxymethyl)-3-methylphenyl]boronic acid
Boronic acid, B-[4-(hydroxymethyl)-3-methylphenyl]- [ACD/Index Name]
MFCD09996880 [MDL number]
[1218790-88-5] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 380.9±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 184.2±30.7 °C
    Index of Refraction: 1.557
    Molar Refractivity: 44.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.87
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 3.08
    ACD/KOC (pH 5.5): 77.86
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.93
    ACD/KOC (pH 7.4): 74.04
    Polar Surface Area: 61 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 50.8±5.0 dyne/cm
    Molar Volume: 136.8±5.0 cm3

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