ChemSpider 2D Image | 2-(Cyclopropylethynyl)benzoic acid | C12H10O2

2-(Cyclopropylethynyl)benzoic acid

  • Molecular FormulaC12H10O2
  • Average mass186.207 Da
  • Monoisotopic mass186.068085 Da
  • ChemSpider ID28475236

More details:

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

2-(Cyclopropylethinyl)benzoesäure [German] [ACD/IUPAC Name]
2-(Cyclopropylethynyl)benzoic acid [ACD/IUPAC Name]
Acide 2-(cyclopropyléthynyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2-cyclopropylethynyl)- [ACD/Index Name]
1313028-09-9 [RN]
2-(2-cyclopropylethynyl)benzoic acid
MFCD20661082

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 356.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 162.6±17.8 °C
    Index of Refraction: 1.622
    Molar Refractivity: 52.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 1.14
    ACD/KOC (pH 5.5): 9.61
    ACD/LogD (pH 7.4): 0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 58.9±5.0 dyne/cm
    Molar Volume: 148.0±5.0 cm3

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