ChemSpider 2D Image | 2-{[3-(2-Carboxyethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}propanoic acid | C16H16O7

2-{[3-(2-Carboxyethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}propanoic acid

  • Molecular FormulaC16H16O7
  • Average mass320.294 Da
  • Monoisotopic mass320.089600 Da
  • ChemSpider ID21834484

More details:

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

2-{[3-(2-Carboxyethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}propanoic acid [ACD/IUPAC Name]
2-{[3-(2-Carboxyethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}propansäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3-propanoic acid, 7-(1-carboxyethoxy)-4-methyl-2-oxo- [ACD/Index Name]
Acide 2-{[3-(2-carboxyéthyl)-4-méthyl-2-oxo-2H-chromén-7-yl]oxy}propanoïque [French] [ACD/IUPAC Name]
2-[3-(2-carboxyethyl)-4-methyl-2-oxochromen-7-yloxy]propanoic acid
3-(7-(1-carboxyethoxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 216.6±23.6 °C
Index of Refraction: 1.577
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

Click to predict properties on the Chemicalize site


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