ChemSpider 2D Image | 3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1,2-propanediol | C12H16O6

3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1,2-propanediol

  • Molecular FormulaC12H16O6
  • Average mass256.252 Da
  • Monoisotopic mass256.094696 Da
  • ChemSpider ID22336925

More details:

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

1,2-Propanediol, 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)- [ACD/Index Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1,2-propandiol [German] [ACD/IUPAC Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1,2-propanediol [ACD/IUPAC Name]
3-(4,7-Diméthoxy-1,3-benzodioxol-5-yl)-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-PROPANEDIOL,3-(4,7-DIMETHOXY-1,3-BENZODIOXOL-5-YL)- (9CI)
119817-28-6 [RN]
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
3-(4,7-dimethoxy-2H-benzo[d]1,3-dioxolan-5-yl)propane-1,2-diol
3-(4,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-propane-1,2-diol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 219.1±27.3 °C
Index of Refraction: 1.565
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.18
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.18
Polar Surface Area: 77 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 193.3±3.0 cm3

Click to predict properties on the Chemicalize site


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