ChemSpider 2D Image | 3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)propanoic acid | C12H14O6

3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)propanoic acid

  • Molecular FormulaC12H14O6
  • Average mass254.236 Da
  • Monoisotopic mass254.079041 Da
  • ChemSpider ID22336944

More details:

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

1,3-Benzodioxole-5-propanoic acid, 4,7-dimethoxy- [ACD/Index Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)propanoic acid [ACD/IUPAC Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4,7-diméthoxy-1,3-benzodioxol-5-yl)propanoïque [French] [ACD/IUPAC Name]
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid
3-(4,7-dimethoxy-2H-benzo[d]1,3-dioxolan-5-yl)propanoic acid
3-(4,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-propionic acid
34070-43-4 [RN]

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 401.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 154.1±20.8 °C
Index of Refraction: 1.552
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.20
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 192.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement