ChemSpider 2D Image | Ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate | C14H18O6

Ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate

  • Molecular FormulaC14H18O6
  • Average mass282.289 Da
  • Monoisotopic mass282.110352 Da
  • ChemSpider ID14702820

More details:

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

3-Oxo-3-(2,3,4-triméthoxyphényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2,3,4-trimethoxy-β-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Ethyl-3-oxo-3-(2,3,4-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
3044-56-2 [RN]
38975-83-6 [RN]
3-Oxo-3-(2,3,4-trimethoxyphenyl)propionic acid ethyl ester
3-Oxo-3-(2,3,4-trimethoxyphenyl)propionic acidethyl ester

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-36486]
    • Safety:

      20/21/22 Novochemy [NC-36486]
      20/21/36/37/39 Novochemy [NC-36486]
      GHS07; GHS09 Novochemy [NC-36486]
      H332; H403 Novochemy [NC-36486]
      P332+P313; P305+P351+P338 Novochemy [NC-36486]
      R52/53 Novochemy [NC-36486]
      Warning Novochemy [NC-36486]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 376.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 164.6±26.5 °C
Index of Refraction: 1.497
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.63
ACD/KOC (pH 5.5): 237.57
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.63
ACD/KOC (pH 7.4): 237.53
Polar Surface Area: 71 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 246.0±3.0 cm3

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