ChemSpider 2D Image | (6S)-6-([1,3]Dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e][1,3]benzodioxol-8(6H)-one | C19H11NO6

(6S)-6-([1,3]Dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e][1,3]benzodioxol-8(6H)-one

  • Molecular FormulaC19H11NO6
  • Average mass349.294 Da
  • Monoisotopic mass349.058624 Da
  • ChemSpider ID82827460
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6S)-6-([1,3]Dioxolo[4,5-g]isochinolin-5-yl)furo[3,4-e][1,3]benzodioxol-8(6H)-on [German] [ACD/IUPAC Name]
(6S)-6-([1,3]Dioxolo[4,5-g]isoquinoléin-5-yl)furo[3,4-e][1,3]benzodioxol-8(6H)-one [French] [ACD/IUPAC Name]
(6S)-6-([1,3]Dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e][1,3]benzodioxol-8(6H)-one [ACD/IUPAC Name]
Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-(1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, (6S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.1±31.5 °C
Index of Refraction: 1.735
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 24.96
ACD/KOC (pH 5.5): 342.19
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.51
ACD/KOC (pH 7.4): 363.40
Polar Surface Area: 76 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 219.9±3.0 cm3

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