ChemSpider 2D Image | (12aR)-3-Methoxy-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol | C17H14O6

(12aR)-3-Methoxy-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol

  • Molecular FormulaC17H14O6
  • Average mass314.289 Da
  • Monoisotopic mass314.079041 Da
  • ChemSpider ID58817258

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(12aR)-3-Methoxy-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol [German] [ACD/IUPAC Name]
(12aR)-3-Methoxy-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol [ACD/IUPAC Name]
(12aR)-3-Méthoxy-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromén-6a(12aH)-ol [French] [ACD/IUPAC Name]
6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6a(12aH)-ol, 3-methoxy-, (12aR)- [ACD/Index Name]
469-01-2 [RN]
Pisatin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 483.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 245.9±28.7 °C
Index of Refraction: 1.675
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.33
ACD/KOC (pH 5.5): 361.73
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.33
ACD/KOC (pH 7.4): 361.71
Polar Surface Area: 66 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 209.3±3.0 cm3

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