ChemSpider 2D Image | Dimethyl 3-(2,3,4-trimethoxyphenyl)pentanedioate | C16H22O7

Dimethyl 3-(2,3,4-trimethoxyphenyl)pentanedioate

  • Molecular FormulaC16H22O7
  • Average mass326.342 Da
  • Monoisotopic mass326.136566 Da
  • ChemSpider ID25988881

More details:

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

3-(2,3,4-Triméthoxyphényl)pentanedioate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-(2,3,4-trimethoxyphenyl)pentanedioate [ACD/IUPAC Name]
Dimethyl-3-(2,3,4-trimethoxyphenyl)pentandioat [German] [ACD/IUPAC Name]
Pentanedioic acid, 3-(2,3,4-trimethoxyphenyl)-, dimethyl ester [ACD/Index Name]
1206111-69-4 [RN]
3-(2,3,4-Trimethoxy-phenyl)-pentanedioic acid dimethyl ester
AGN-PC-09BHFA
dimethyl 3-(2,3,4-trimethoxyphenyl)pentane-1,5-dioate
MCULE-6658864520
MFCD26099084
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 412.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 179.5±28.8 °C
    Index of Refraction: 1.492
    Molar Refractivity: 82.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 2.01
    ACD/BCF (pH 5.5): 19.77
    ACD/KOC (pH 5.5): 294.64
    ACD/LogD (pH 7.4): 2.01
    ACD/BCF (pH 7.4): 19.77
    ACD/KOC (pH 7.4): 294.64
    Polar Surface Area: 80 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 36.8±3.0 dyne/cm
    Molar Volume: 284.5±3.0 cm3

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