ChemSpider 2D Image | 4-Hydroxy-3-[(1R)-1-(3-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one | C19H16O5

4-Hydroxy-3-[(1R)-1-(3-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one

  • Molecular FormulaC19H16O5
  • Average mass324.327 Da
  • Monoisotopic mass324.099762 Da
  • ChemSpider ID48060781
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 4-hydroxy-3-[(1R)-1-(3-hydroxyphenyl)-3-oxobutyl]- [ACD/Index Name]
4-Hydroxy-3-[(1R)-1-(3-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(1R)-1-(3-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[(1R)-1-(3-hydroxyphényl)-3-oxobutyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
(R)-3�?Hydroxy Warfarin
(R)-3’-Hydroxy Warfarin
124997-75-7 [RN]
3-[(R)-α-(2-Oxopropyl)-3-hydroxybenzyl]-4-hydroxy-2H-1-benzopyran-2-one
4-hydroxy-3-[(1R)-1-(3-hydroxyphenyl)-3-oxobutyl]chromen-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 579.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 213.7±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: 2.68
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 5.27
ACD/KOC (pH 5.5): 57.87
ACD/LogD (pH 7.4): -0.19
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

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