ChemSpider 2D Image | 3-(4-Methoxy-2-oxo-2H-pyran-6-yl)propanoic acid | C9H10O5

3-(4-Methoxy-2-oxo-2H-pyran-6-yl)propanoic acid

  • Molecular FormulaC9H10O5
  • Average mass198.173 Da
  • Monoisotopic mass198.052826 Da
  • ChemSpider ID29418907

More details:

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

2H-Pyran-6-propanoic acid, 4-methoxy-2-oxo- [ACD/Index Name]
3-(4-Methoxy-2-oxo-2H-pyran-6-yl)propanoic acid [ACD/IUPAC Name]
3-(4-Methoxy-2-oxo-2H-pyran-6-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4-méthoxy-2-oxo-2H-pyran-6-yl)propanoïque [French] [ACD/IUPAC Name]
3-(4-methoxy-2-oxo-2H-pyran-6-yl)-propanoic 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: 443.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 183.5±20.8 °C
Index of Refraction: 1.531
Molar Refractivity: 46.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.52
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 149.6±5.0 cm3

Click to predict properties on the Chemicalize site


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