ChemSpider 2D Image | Methyl 3-(6-hydroxy-4-oxo-4H-chromen-2-yl)propanoate | C13H12O5

Methyl 3-(6-hydroxy-4-oxo-4H-chromen-2-yl)propanoate

  • Molecular FormulaC13H12O5
  • Average mass248.231 Da
  • Monoisotopic mass248.068466 Da
  • ChemSpider ID78435617

More details:

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

3-(6-Hydroxy-4-oxo-4H-chromén-2-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-2-propanoic acid, 6-hydroxy-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(6-hydroxy-4-oxo-4H-chromen-2-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(6-hydroxy-4-oxo-4H-chromen-2-yl)propanoat [German] [ACD/IUPAC Name]
Applanatumol Z1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 431.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 167.3±22.2 °C
Index of Refraction: 1.575
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.24
ACD/KOC (pH 5.5): 196.73
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.97
ACD/KOC (pH 7.4): 191.99
Polar Surface Area: 73 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 187.6±3.0 cm3

Click to predict properties on the Chemicalize site


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