ChemSpider 2D Image | 4,7-Dihydroxy-3-[(1R)-3-oxo-1-(~2~H_5_)phenylbutyl]-2H-chromen-2-one | C19H11D5O5

4,7-Dihydroxy-3-[(1R)-3-oxo-1-(2H5)phenylbutyl]-2H-chromen-2-one

  • Molecular FormulaC19H11D5O5
  • Average mass329.358 Da
  • Monoisotopic mass329.131165 Da
  • ChemSpider ID107447935

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-[(1R)-3-oxo-1-(phenyl-d5)butyl]- [ACD/Index Name]
4,7-Dihydroxy-3-[(1R)-3-oxo-1-(2H5)phenylbutyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4,7-Dihydroxy-3-[(1R)-3-oxo-1-(2H5)phenylbutyl]-2H-chromen-2-one [ACD/IUPAC Name]
4,7-Dihydroxy-3-[(1R)-3-oxo-1-(2H5)phénylbutyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 210.6±23.6 °C
Index of Refraction: 1.659
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 45.44
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 234.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement