ChemSpider 2D Image | Niceritrol | C29H24N4O8

Niceritrol

  • Molecular FormulaC29H24N4O8
  • Average mass556.523 Da
  • Monoisotopic mass556.159424 Da
  • ChemSpider ID4321

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Featured data source



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

227-519-7 [EINECS]
2849
3-[(3-Pyridinylcarbonyl)oxy]-2,2-bis{[(3-pyridinylcarbonyl)oxy]methyl}propyl nicotinate [ACD/IUPAC Name]
3-[(3-Pyridinylcarbonyl)oxy]-2,2-bis{[(3-pyridinylcarbonyl)oxy]methyl}propyl-nicotinat [German] [ACD/IUPAC Name]
3-[(pyridin-3-ylcarbonyl)oxy]-2,2-bis{[(pyridin-3-ylcarbonyl)oxy]methyl}propyl pyridine-3-carboxylate
3-Pyridinecarboxylic Acid 2,2-Bis-[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl Ester
3-pyridinecarboxylic acid, 3-[(3-pyridinylcarbonyl)oxy]-2,2-bis[[(3-pyridinylcarbonyl)oxy]methyl]propyl ester
5868-05-3 [RN]
8 AL
Niceritrol [INN] [JP15] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F54EHJ34MV [DBID]
BRN 0377170 [DBID]
D01754 [DBID]
UNII:F54EHJ34MV [DBID]
UNII-F54EHJ34MV [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 746.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.4±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 512.94
ACD/KOC (pH 5.5): 3019.47
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 519.28
ACD/KOC (pH 7.4): 3056.80
Polar Surface Area: 157 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 413.1±3.0 cm3

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