ChemSpider 2D Image | 6-{2-[2-(4-Methyl-3-nitrophenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexenoic acid | C25H30N2O7

6-{2-[2-(4-Methyl-3-nitrophenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexenoic acid

  • Molecular FormulaC25H30N2O7
  • Average mass470.515 Da
  • Monoisotopic mass470.205292 Da
  • ChemSpider ID28688730

More details:

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

4-Hexenoic acid, 6-[2-[1-methyl-1-(4-methyl-3-nitrophenoxy)ethyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl]- [ACD/Index Name]
6-{2-[2-(4-Methyl-3-nitrophenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexenoic acid [ACD/IUPAC Name]
6-{2-[2-(4-Methyl-3-nitrophenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexensäure [German] [ACD/IUPAC Name]
Acide 6-{2-[2-(4-méthyl-3-nitrophénoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexénoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.1±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 65.69
ACD/KOC (pH 5.5): 366.96
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 6.52
Polar Surface Area: 124 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 384.0±3.0 cm3

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