ChemSpider 2D Image | 4-Hydroxy-3-[(2E)-3-(2-hydroxyphenyl)-2-propenoyl]-2H-chromen-2-one | C18H12O5

4-Hydroxy-3-[(2E)-3-(2-hydroxyphenyl)-2-propenoyl]-2H-chromen-2-one

  • Molecular FormulaC18H12O5
  • Average mass308.285 Da
  • Monoisotopic mass308.068481 Da
  • ChemSpider ID21589306

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1-Benzopyran-2-one, 4-hydroxy-3-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
4-Hydroxy-3-[(2E)-3-(2-hydroxyphenyl)-2-propenoyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(2E)-3-(2-hydroxyphenyl)-2-propenoyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[(2E)-3-(2-hydroxyphényl)-2-propenoyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-hydroxy-3-[(2E)-3-(2-hydroxyphenyl)prop-2-enoyl]-2H-chromen-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 558.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 209.4±23.6 °C
Index of Refraction: 1.730
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 55.03
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 208.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement