ChemSpider 2D Image | 8-Hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxy-2H-chromen-2-one | C13H14O5

8-Hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxy-2H-chromen-2-one

  • Molecular FormulaC13H14O5
  • Average mass250.247 Da
  • Monoisotopic mass250.084122 Da
  • ChemSpider ID78441479

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2378400-78-1 [RN]
2H-1-Benzopyran-2-one, 8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxy- [ACD/Index Name]
8-Hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-Hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxy-2H-chromen-2-one [ACD/IUPAC Name]
8-Hydroxy-3-[(2S)-2-hydroxypropyl]-6-méthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
Talacoumarin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 490.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 191.3±22.2 °C
Index of Refraction: 1.588
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.17
ACD/KOC (pH 5.5): 127.71
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 3.73
ACD/KOC (pH 7.4): 77.17
Polar Surface Area: 76 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 189.5±3.0 cm3

Click to predict properties on the Chemicalize site


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