ChemSpider 2D Image | 3-(4-Piperidinyl)benzoic acid | C12H15NO2

3-(4-Piperidinyl)benzoic acid

  • Molecular FormulaC12H15NO2
  • Average mass205.253 Da
  • Monoisotopic mass205.110275 Da
  • ChemSpider ID21107730

More details:

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

3-(4-Piperidinyl)benzoesäure [German] [ACD/IUPAC Name]
3-(4-Piperidinyl)benzoic acid [ACD/IUPAC Name]
3-(piperidin-4-yl)benzoic acid
4-(3'-Carboxyphenyl)piperidine
766508-67-2 [RN]
Acide 3-(4-pipéridinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(4-piperidinyl)- [ACD/Index Name]
MFCD05864627 [MDL number]
[766508-67-2] [RN]
3-(4-Piperidinyl)benzoicacid
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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: 1.1±0.1 g/cm3
    Boiling Point: 377.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.0±3.0 kJ/mol
    Flash Point: 182.1±27.9 °C
    Index of Refraction: 1.558
    Molar Refractivity: 57.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): -0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.10
    ACD/LogD (pH 7.4): -0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.13
    Polar Surface Area: 49 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 179.2±3.0 cm3

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