ChemSpider 2D Image | 4-Hydroxy-3-[(1R)-3-oxo-1-(~2~H_5_)phenylbutyl]-2H-chromen-2-one | C19H11D5O4

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

  • Molecular FormulaC19H11D5O4
  • Average mass313.359 Da
  • Monoisotopic mass313.136230 Da
  • ChemSpider ID29738787
  • 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-hydroxy-3-[(1R)-3-oxo-1-(phenyl-d5)butyl]- [ACD/Index Name]
4-Hydroxy-3-[(1R)-3-oxo-1-(2H5)phenylbutyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(1R)-3-oxo-1-(2H5)phenylbutyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[(1R)-3-oxo-1-(2H5)phénylbutyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
(R)-Warfarin-d5
773005-79-1 [RN]
MFCD08063545 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 515.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 188.8±23.6 °C
Index of Refraction: 1.635
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 12.30
ACD/KOC (pH 5.5): 106.20
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 64 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 235.8±3.0 cm3

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