Found 4 results

Search term: QAJJDCWDVBJUJO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3E)-3-(4-Hydroxy-3-nitrobenzylidene)-1-methyl-1,3-dihydro-2H-indol-2-one | C16H12N2O4

(3E)-3-(4-Hydroxy-3-nitrobenzylidene)-1-methyl-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC16H12N2O4
  • Average mass296.277 Da
  • Monoisotopic mass296.079712 Da
  • ChemSpider ID65035552

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-(4-Hydroxy-3-nitrobenzyliden)-1-methyl-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3E)-3-(4-Hydroxy-3-nitrobenzylidene)-1-methyl-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3E)-3-(4-Hydroxy-3-nitrobenzylidène)-1-méthyl-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 1,3-dihydro-3-[(4-hydroxy-3-nitrophenyl)methylene]-1-methyl-, (3E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 436.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 217.6±28.7 °C
Index of Refraction: 1.728
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 108.42
ACD/KOC (pH 5.5): 926.96
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 50.72
Polar Surface Area: 86 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 204.1±3.0 cm3

Click to predict properties on the Chemicalize site


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