ChemSpider 2D Image | 5-Ethynyl-2-hydroxybenzaldehyde | C9H6O2

5-Ethynyl-2-hydroxybenzaldehyde

  • Molecular FormulaC9H6O2
  • Average mass146.143 Da
  • Monoisotopic mass146.036774 Da
  • ChemSpider ID24189850

More details:

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

5-Ethinyl-2-hydroxybenzaldehyd [German] [ACD/IUPAC Name]
5-Ethynyl-2-hydroxybenzaldehyde [ACD/IUPAC Name]
5-Éthynyl-2-hydroxybenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 5-ethynyl-2-hydroxy- [ACD/Index Name]
252771-08-7 [RN]
5-ethynyl-2-hydroxy-5-benzaldehyde
Benzaldehyde, 5-ethynyl-2-hydroxy- (9CI)
BENZALDEHYDE,5-ETHYNYL-2-HYDROXY-
MFCD18824475

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 245.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.2±3.0 kJ/mol
    Flash Point: 100.9±17.2 °C
    Index of Refraction: 1.598
    Molar Refractivity: 40.3±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.79
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 15.22
    ACD/KOC (pH 5.5): 242.32
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 4.63
    ACD/KOC (pH 7.4): 73.64
    Polar Surface Area: 37 Å2
    Polarizability: 16.0±0.5 10-24cm3
    Surface Tension: 57.5±5.0 dyne/cm
    Molar Volume: 118.2±5.0 cm3

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