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Search term: AGHWHQVSFVVCAO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(3-{3-[(5-Ethyl-4'-fluoro-2-hydroxy-4-biphenylyl)oxy]propoxy}-9-oxo-9H-xanthen-4-yl)propanoic acid | C33H29FO7

3-(3-{3-[(5-Ethyl-4'-fluoro-2-hydroxy-4-biphenylyl)oxy]propoxy}-9-oxo-9H-xanthen-4-yl)propanoic acid

  • Molecular FormulaC33H29FO7
  • Average mass556.578 Da
  • Monoisotopic mass556.189758 Da
  • ChemSpider ID7983541

More details:

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

3-(3-{3-[(5-Ethyl-4'-fluor-2-hydroxy-4-biphenylyl)oxy]propoxy}-9-oxo-9H-xanthen-4-yl)propansäure [German] [ACD/IUPAC Name]
3-(3-{3-[(5-Ethyl-4'-fluoro-2-hydroxy-4-biphenylyl)oxy]propoxy}-9-oxo-9H-xanthen-4-yl)propanoic acid [ACD/IUPAC Name]
3-(3-{3-[(5-ethyl-4'-fluoro-2-hydroxybiphenyl-4-yl)oxy]propoxy}-9-oxo-9H-xanthen-4-yl)propanoic acid
9H-Xanthene-4-propanoic acid, 3-[3-[(5-ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-9-oxo- [ACD/Index Name]
Acide 3-(3-{3-[(5-éthyl-4'-fluoro-2-hydroxy-4-biphénylyl)oxy]propoxy}-9-oxo-9H-xanthén-4-yl)propanoïque [French] [ACD/IUPAC Name]
3-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yloxy)-propoxy]-9-oxo-9H-xanthen-4-yl}-propionic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 149.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 3752.50
ACD/KOC (pH 5.5): 6240.46
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 58.85
ACD/KOC (pH 7.4): 97.87
Polar Surface Area: 102 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 423.7±3.0 cm3

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