ChemSpider 2D Image | 2,2',2''-(2,4,6-Trimethylbenzene-1,3,5-triyl)triacetic acid | C15H18O6

2,2',2''-(2,4,6-Trimethylbenzene-1,3,5-triyl)triacetic acid

  • Molecular FormulaC15H18O6
  • Average mass294.300 Da
  • Monoisotopic mass294.110352 Da
  • ChemSpider ID21514165

More details:

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

(3,5-Bis-carboxymethyl-2,4,6-trimet; hyl-phenyl)-acetic acid
1,3,5-Benzenetriacetic acid, 2,4,6-trimethyl- [ACD/Index Name]
2,2',2''-(2,4,6-Trimethylbenzene-1,3,5-triyl)triacetic acid [ACD/IUPAC Name]
2,2',2''-(2,4,6-Trimethylbenzol-1,3,5-triyl)triessigsäure [German] [ACD/IUPAC Name]
Acide 2,2',2''-(2,4,6-triméthylbenzène-1,3,5-triyl)triacétique [French] [ACD/IUPAC Name]
(3,5-Bis-carboxymethyl-2,4,6-trimethyl-phenyl)-acetic acid
(3,5-BIS-CARBOXYMETHYL-2,4,6-TRIMETHYL-PHENYL)-ACETICACID
[3,5-BIS(CARBOXYMETHYL)-2,4,6-TRIMETHYLPHENYL]ACETIC ACID
40207-09-8 [RN]
MFCD09032087 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 553.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.8±3.0 kJ/mol
    Flash Point: 302.6±25.2 °C
    Index of Refraction: 1.586
    Molar Refractivity: 74.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): -1.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 60.6±3.0 dyne/cm
    Molar Volume: 220.6±3.0 cm3

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