ChemSpider 2D Image | {[2-(3,4-Diethoxyphenyl)-3,7-diethoxy-4-oxo-4H-chromen-5-yl]oxy}acetic acid | C25H28O9

{[2-(3,4-Diethoxyphenyl)-3,7-diethoxy-4-oxo-4H-chromen-5-yl]oxy}acetic acid

  • Molecular FormulaC25H28O9
  • Average mass472.484 Da
  • Monoisotopic mass472.173340 Da
  • ChemSpider ID23116790

More details:

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

{[2-(3,4-Diethoxyphenyl)-3,7-diethoxy-4-oxo-4H-chromen-5-yl]oxy}acetic acid [ACD/IUPAC Name]
{[2-(3,4-Diethoxyphenyl)-3,7-diethoxy-4-oxo-4H-chromen-5-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-(3,4-diethoxyphenyl)-3,7-diethoxy-4-oxo-4H-1-benzopyran-5-yl]oxy]- [ACD/Index Name]
Acide {[2-(3,4-diéthoxyphényl)-3,7-diéthoxy-4-oxo-4H-chromén-5-yl]oxy}acétique [French] [ACD/IUPAC Name]
[2-(3,4-Diethoxy-phenyl)-3,7-diethoxy-4-oxo-4H-chromen-5-yloxy]-acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL436338/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 225.8±25.0 °C
Index of Refraction: 1.586
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 361.3±5.0 cm3

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