ChemSpider 2D Image | (2S,3S)-3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one | C20H18O7

(2S,3S)-3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one

  • Molecular FormulaC20H18O7
  • Average mass370.353 Da
  • Monoisotopic mass370.105255 Da
  • ChemSpider ID26373085

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-on [German] [ACD/IUPAC Name]
(2S,3S)-3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one [ACD/IUPAC Name]
(2S,3S)-3-(4-Hydroxy-3-méthoxyphényl)-5-méthoxy-2-méthyl-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromén-9-one [French] [ACD/IUPAC Name]
9H-Pyrano[2,3-f]-1,4-benzodioxin-9-one, 2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-, (2S,3S)- [ACD/Index Name]
2,3-trans-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Propacin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 208.5±23.6 °C
Index of Refraction: 1.602
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.32
ACD/KOC (pH 5.5): 767.54
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.90
ACD/KOC (pH 7.4): 763.29
Polar Surface Area: 83 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 276.6±3.0 cm3

Click to predict properties on the Chemicalize site


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