ChemSpider 2D Image | 3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-chromen-2-yl}propanoic acid | C30H38O8

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

  • Molecular FormulaC30H38O8
  • Average mass526.618 Da
  • Monoisotopic mass526.256653 Da
  • ChemSpider ID112838

More details:

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

2H-1-Benzopyran-2-propanoic acid, 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3,4-dihydro-2-methyl-4-oxo-8-propyl- [ACD/Index Name]
3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-chromen-2-yl}propanoic acid [ACD/IUPAC Name]
3-{7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-chromen-2-yl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{7-[3-(4-acétyl-3-hydroxy-2-propylphénoxy)propoxy]-2-méthyl-4-oxo-8-propyl-3,4-dihydro-2H-chromén-2-yl}propanoïque [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-propanoic acid, 7-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy)-3,4-dihydro-2-methyl-4-oxo-8-propyl-
3-(7-(3-(2-n-Propyl-3-hydroxy-4-acetylphenoxy)propoxy)-2-methyl-3,4-dihydro-4-oxo-8-n-propyl-2H-1-benzopyran-2-yl)propionic acid
3-{7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-propoxy]-2-methyl-4-oxo-8-propyl-chroman-2-yl}-propionic acid(SC-39070)
5466-10-4 [RN]
98193-06-7 [RN]

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

SC 39070 [DBID]
SC-39070 [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: 726.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 234.3±26.4 °C
Index of Refraction: 1.555
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 3844.56
ACD/KOC (pH 5.5): 6549.92
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 60.43
ACD/KOC (pH 7.4): 102.96
Polar Surface Area: 119 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 444.9±3.0 cm3

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