ChemSpider 2D Image | 3-[4-(Carboxymethoxy)-3-ethoxyphenyl]propanoic acid | C13H16O6

3-[4-(Carboxymethoxy)-3-ethoxyphenyl]propanoic acid

  • Molecular FormulaC13H16O6
  • Average mass268.263 Da
  • Monoisotopic mass268.094696 Da
  • ChemSpider ID21665877

More details:

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

3-[4-(Carboxymethoxy)-3-ethoxyphenyl]propanoic acid [ACD/IUPAC Name]
3-[4-(Carboxymethoxy)-3-ethoxyphenyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[4-(carboxyméthoxy)-3-éthoxyphényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-(carboxymethoxy)-3-ethoxy- [ACD/Index Name]
3-(4-(Carboxymethoxy)-3-ethoxyphenyl)propanoic acid
924846-09-3 [RN]
AGN-PC-015N6L
AKOS005536399
AO-080/43441924
MCULE-2374337390
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 460.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.9±3.0 kJ/mol
    Flash Point: 174.1±19.4 °C
    Index of Refraction: 1.546
    Molar Refractivity: 66.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.32
    ACD/LogD (pH 5.5): -1.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 209.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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