ChemSpider 2D Image | 3-(2,3,4-Trimethoxyphenyl)pentanedioic acid | C14H18O7

3-(2,3,4-Trimethoxyphenyl)pentanedioic acid

  • Molecular FormulaC14H18O7
  • Average mass298.289 Da
  • Monoisotopic mass298.105255 Da
  • ChemSpider ID22336891

More details:

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

3-(2,3,4-Trimethoxyphenyl)pentandisäure [German] [ACD/IUPAC Name]
3-(2,3,4-Trimethoxyphenyl)pentanedioic acid [ACD/IUPAC Name]
Acide 3-(2,3,4-triméthoxyphényl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-(2,3,4-trimethoxyphenyl)- [ACD/Index Name]
3-(2,3,4-Trimethoxy-phenyl)-pentanedioic acid
948007-37-2 [RN]
AGN-PC-015P0P
AKOS005536645
MCULE-7317238672
MFCD10037577 [MDL number]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 459.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.8±3.0 kJ/mol
    Flash Point: 168.7±22.2 °C
    Index of Refraction: 1.536
    Molar Refractivity: 72.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.01
    ACD/LogD (pH 5.5): -1.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 233.8±3.0 cm3

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