ChemSpider 2D Image | 6-(4-Isopropoxyphenyl)-6-oxohexanoic acid | C15H20O4

6-(4-Isopropoxyphenyl)-6-oxohexanoic acid

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID21401819

More details:

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

6-(4-Isopropoxyphenyl)-6-oxohexanoic acid [ACD/IUPAC Name]
6-(4-Isopropoxyphenyl)-6-oxohexansäure [German] [ACD/IUPAC Name]
898791-88-3 [RN]
Acide 6-(4-isopropoxyphényl)-6-oxohexanoïque [French] [ACD/IUPAC Name]
Benzenehexanoic acid, 4-(1-methylethoxy)-ε-oxo- [ACD/Index Name]
6-Oxo-6-(4-isopropoxyphenyl)hexanoic acid
6-oxo-6-(4-propan-2-yloxyphenyl)hexanoic acid
6-oxo-6-[4-(propan-2-yloxy)phenyl]hexanoic acid
6-Oxo-6-{4-[(propan-2-yl)oxy]phenyl}hexanoic acid
MFCD02260993 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 447.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.4±3.0 kJ/mol
    Flash Point: 164.6±16.7 °C
    Index of Refraction: 1.517
    Molar Refractivity: 72.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.92
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 7.80
    ACD/KOC (pH 5.5): 85.26
    ACD/LogD (pH 7.4): -0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.35
    Polar Surface Area: 64 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 41.6±3.0 dyne/cm
    Molar Volume: 239.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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