ChemSpider 2D Image | [5-(Benzyloxy)-2,4-dinitrobenzylidene]malonic acid | C17H12N2O9

[5-(Benzyloxy)-2,4-dinitrobenzylidene]malonic acid

  • Molecular FormulaC17H12N2O9
  • Average mass388.285 Da
  • Monoisotopic mass388.054291 Da
  • ChemSpider ID73945496

More details:

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

[5-(Benzyloxy)-2,4-dinitrobenzyliden]malonsäure [German] [ACD/IUPAC Name]
[5-(Benzyloxy)-2,4-dinitrobenzylidene]malonic acid [ACD/IUPAC Name]
Acide [5-(benzyloxy)-2,4-dinitrobenzylidène]malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[[2,4-dinitro-5-(phenylmethoxy)phenyl]methylene]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 94.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 244.4±3.0 cm3

Click to predict properties on the Chemicalize site


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