ChemSpider 2D Image | 4,4'-{1,2-Ethanediylbis[(3,6-dioxo-1,4-cyclohexadiene-4,1-diyl)methyleneoxy]}bis(4-oxobutanoic acid) | C24H22O12

4,4'-{1,2-Ethanediylbis[(3,6-dioxo-1,4-cyclohexadiene-4,1-diyl)methyleneoxy]}bis(4-oxobutanoic acid)

  • Molecular FormulaC24H22O12
  • Average mass502.424 Da
  • Monoisotopic mass502.111115 Da
  • ChemSpider ID23138586

More details:

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

4,4'-{1,2-Ethandiylbis[(3,6-dioxo-1,4-cyclohexadien-4,1-diyl)methylenoxy]}bis(4-oxobutansäure) [German] [ACD/IUPAC Name]
4,4'-{1,2-Ethanediylbis[(3,6-dioxo-1,4-cyclohexadiene-4,1-diyl)methyleneoxy]}bis(4-oxobutanoic acid) [ACD/IUPAC Name]
Acide 4,4'-{1,2-éthanediylbis[(3,6-dioxo-1,4-cyclohexadiène-4,1-diyl)méthylèneoxy]}bis(4-oxobutanoïque) [French] [ACD/IUPAC Name]
Butanedioic acid, 1,1'-[1,2-ethanediylbis[(3,6-dioxo-1,4-cyclohexadiene-4,1-diyl)methylene]] ester [ACD/Index Name]
Succinic acid mono-(4-{2-[4-(3-carboxy-propionyloxymethyl)-3,6-dioxo-cyclohexa-1,4-dienyl]-ethyl}-3,6-dioxo-cyclohexa-1,4-dienylmethyl) ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 754.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 119.6±6.0 kJ/mol
Flash Point: 256.2±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 348.0±3.0 cm3

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