ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yl)-7-chromanol | C16H14O4

2-(1,3-Benzodioxol-5-yl)-7-chromanol

  • Molecular FormulaC16H14O4
  • Average mass270.280 Da
  • Monoisotopic mass270.089203 Da
  • ChemSpider ID20018936

More details:






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

2-(1,3-Benzodioxol-5-yl)-7-chromanol [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-7-chromanol [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-7-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-7-ol, 2-(1,3-benzodioxol-5-yl)-3,4-dihydro- [ACD/Index Name]
7-hydroxy-3',4'-(methylenedioxy)flavan
2H-1-BENZOPYRAN-7-OL, 2-(1,3-BENZODIOXOL-5-YL)-3,4-DIHYDRO-, (S)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 455.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 229.3±28.7 °C
Index of Refraction: 1.641
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.98
ACD/KOC (pH 5.5): 1873.26
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.20
ACD/KOC (pH 7.4): 1867.69
Polar Surface Area: 48 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

Click to predict properties on the Chemicalize site






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