ChemSpider 2D Image | 3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromen-2-yl}propanoic acid | C29H34O9

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

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID108995

More details:

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

3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromen-2-yl}propanoic acid [ACD/IUPAC Name]
3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-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)-2-hydroxypropoxy]-4-oxo-8-propyl- [ACD/Index Name]
Acide 3-{7-[3-(4-acétyl-3-hydroxy-2-propylphénoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromén-2-yl}propanoïque [French] [ACD/IUPAC Name]
4H-1-Benzopyran-2-propanoic acid, 7-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy)-4-oxo-8-propyl-
76833-60-8 [RN]

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

FPL 57231 [DBID]
Fpl-57231 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 756.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 247.3±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 324.40
ACD/KOC (pH 5.5): 1294.44
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 5.19
ACD/KOC (pH 7.4): 20.73
Polar Surface Area: 140 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

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