ChemSpider 2D Image | (3S)-3-(1,3-Benzodioxol-5-ylmethyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one | C20H20O7

(3S)-3-(1,3-Benzodioxol-5-ylmethyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC20H20O7
  • Average mass372.369 Da
  • Monoisotopic mass372.120911 Da
  • ChemSpider ID30811311

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(1,3-Benzodioxol-5-ylmethyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-3-(1,3-Benzodioxol-5-ylmethyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-3-(1,3-Benzodioxol-5-ylméthyl)-5,6,7-triméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-5,6,7-trimethoxy-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 550.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 242.5±30.2 °C
Index of Refraction: 1.584
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.57
ACD/KOC (pH 5.5): 1547.26
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.57
ACD/KOC (pH 7.4): 1547.26
Polar Surface Area: 72 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 285.3±3.0 cm3

Click to predict properties on the Chemicalize site


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