ChemSpider 2D Image | (4Z)-3-(3,4-Dimethoxyphenyl)-4-(2-hydroxy-3-nitrobenzylidene)-1,2-oxazol-5(4H)-one | C18H14N2O7

(4Z)-3-(3,4-Dimethoxyphenyl)-4-(2-hydroxy-3-nitrobenzylidene)-1,2-oxazol-5(4H)-one

  • Molecular FormulaC18H14N2O7
  • Average mass370.313 Da
  • Monoisotopic mass370.080109 Da
  • ChemSpider ID17780888

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-3-(3,4-Dimethoxyphenyl)-4-(2-hydroxy-3-nitrobenzyliden)-1,2-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
(4Z)-3-(3,4-Dimethoxyphenyl)-4-(2-hydroxy-3-nitrobenzylidene)-1,2-oxazol-5(4H)-one [ACD/IUPAC Name]
(4Z)-3-(3,4-Diméthoxyphényl)-4-(2-hydroxy-3-nitrobenzylidène)-1,2-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Isoxazolone, 3-(3,4-dimethoxyphenyl)-4-[(2-hydroxy-3-nitrophenyl)methylene]-, (4Z)- [ACD/Index Name]
3-(3,4-dimethoxyphenyl)-4-[(2-hydroxy-3-nitrophenyl)methylene]isoxazol-5-one
3-(3,4-dimethoxyphenyl)-4-{2-hydroxy-3-nitrobenzylidene}-5(4H)-isoxazolone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 264.8±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 92.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 90.23
ACD/KOC (pH 5.5): 728.08
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 20.05
Polar Surface Area: 123 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 259.1±7.0 cm3

Click to predict properties on the Chemicalize site


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