ChemSpider 2D Image | 4-(3,4-Dimethoxyphenyl)-2,4-dioxobutanoic acid | C12H12O6

4-(3,4-Dimethoxyphenyl)-2,4-dioxobutanoic acid

  • Molecular FormulaC12H12O6
  • Average mass252.220 Da
  • Monoisotopic mass252.063385 Da
  • ChemSpider ID21475855

More details:

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

4-(3,4-Dimethoxyphenyl)-2,4-dioxobutanoic acid [ACD/IUPAC Name]
4-(3,4-Dimethoxyphenyl)-2,4-dioxobutansäure [German] [ACD/IUPAC Name]
Acide 4-(3,4-diméthoxyphényl)-2,4-dioxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 3,4-dimethoxy-α,γ-dioxo- [ACD/Index Name]
4-(3,4-Dimethoxy-phenyl)-2,4-dioxo-butyric acid
79183-93-0 [RN]
MFCD09028353

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

Density: 1.3±0.1 g/cm3
Boiling Point: 432.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 167.1±19.4 °C
Index of Refraction: 1.537
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

Click to predict properties on the Chemicalize site


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