ChemSpider 2D Image | Dimethyl 7-[(2E)-1,4-dimethoxy-1,4-dioxo-2-buten-2-yl]-6,7-dihydro-1-benzofuran-4,5-dicarboxylate | C18H18O9

Dimethyl 7-[(2E)-1,4-dimethoxy-1,4-dioxo-2-buten-2-yl]-6,7-dihydro-1-benzofuran-4,5-dicarboxylate

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID109121455

More details:

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

4,5-Benzofurandicarboxylic acid, 6,7-dihydro-7-[(1E)-3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propen-1-yl]-, dimethyl ester [ACD/Index Name]
7-[(2E)-1,4-Diméthoxy-1,4-dioxo-2-butén-2-yl]-6,7-dihydro-1-benzofurane-4,5-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 7-[(2E)-1,4-dimethoxy-1,4-dioxo-2-buten-2-yl]-6,7-dihydro-1-benzofuran-4,5-dicarboxylate [ACD/IUPAC Name]
Dimethyl-7-[(2E)-1,4-dimethoxy-1,4-dioxo-2-buten-2-yl]-6,7-dihydro-1-benzofuran-4,5-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.9±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.63
ACD/KOC (pH 5.5): 633.67
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.63
ACD/KOC (pH 7.4): 633.67
Polar Surface Area: 118 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 284.1±3.0 cm3

Click to predict properties on the Chemicalize site


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