ChemSpider 2D Image | Dodecyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate | C32H38N2O5

Dodecyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID3325567

More details:






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

1H-Indeno[1,2-b]pyridine-3-carboxylic acid, 4,5-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, dodecyl ester [ACD/Index Name]
2-Méthyl-4-(3-nitrophényl)-5-oxo-4,5-dihydro-1H-indéno[1,2-b]pyridine-3-carboxylate de dodécyle [French] [ACD/IUPAC Name]
Dodecyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate [ACD/IUPAC Name]
Dodecyl-2-methyl-4-(3-nitrophenyl)-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
dodecyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4-dihydroindeno[3,2-b]pyridine-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 668.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.2±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 9.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3953341.75
ACD/LogD (pH 7.4): 9.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3953341.75
Polar Surface Area: 101 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 441.8±5.0 cm3

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