ChemSpider 2D Image | 2-Methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-1,3-benzenediol | C17H16O6

2-Methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-1,3-benzenediol

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID28945325
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3-Benzenediol, 2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]- [ACD/Index Name]
2-Methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-1,3-benzenediol [ACD/IUPAC Name]
2-Méthoxy-5-[(Z)-2-(7-méthoxy-1,3-benzodioxol-5-yl)vinyl]-1,3-benzènediol [French] [ACD/IUPAC Name]
2-Methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-1,3-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 542.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 282.0±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.04
ACD/KOC (pH 5.5): 830.12
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.57
ACD/KOC (pH 7.4): 815.57
Polar Surface Area: 77 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement