ChemSpider 2D Image | 2-Oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-4-olate | C19H15O4


  • Molecular FormulaC19H15O4
  • Average mass307.320 Da
  • Monoisotopic mass307.097595 Da
  • ChemSpider ID58163911
  • Charge - Charge

    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-[(1S)-3-oxo-1-phenylbutyl]-, ion(1-) [ACD/Index Name]
2-Oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-4-olat [German] [ACD/IUPAC Name]
2-Oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-4-olate [ACD/IUPAC Name]
2-Oxo-3-[(1S)-3-oxo-1-phénylbutyl]-2H-chromén-4-olate [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      An organic anion that is the conjugate base of (S)-warfarin, obtained by deprotonation of the hydroxy group. ChEBI CHEBI:87744

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

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:
Molar Refractivity:
#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: 66 Å2
Surface Tension:
Molar Volume:

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