ChemSpider 2D Image | 3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-4H-chromen-2-yl}propanoic acid | C29H34O8

3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-4H-chromen-2-yl}propanoic acid

  • Molecular FormulaC29H34O8
  • Average mass510.576 Da
  • Monoisotopic mass510.225372 Da
  • ChemSpider ID151482

More details:

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

3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-4H-chromen-2-yl}propanoic acid [ACD/IUPAC Name]
3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-4H-chromen-2-yl}propansäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-2-propanoic acid, 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl- [ACD/Index Name]
Acide 3-{7-[3-(4-acétyl-3-hydroxy-2-propylphénoxy)propoxy]-4-oxo-8-propyl-4H-chromén-2-yl}propanoïque [French] [ACD/IUPAC Name]
3-(7-(3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propyloxy)-4-oxo-8-propyl-4H-1-benzopyran)-2-propionic acid
4H-1-Benzopyran-2-propanoic acid, 7-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy)-4-oxo-8-propyl-
76847-71-7 [RN]

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

Fpl 59257 [DBID]
Fpl-59257 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 713.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 232.7±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1020.17
ACD/KOC (pH 5.5): 2940.52
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 16.34
ACD/KOC (pH 7.4): 47.09
Polar Surface Area: 119 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 417.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement