ChemSpider 2D Image | Methyl 3-(1,3-benzodioxol-5-yl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate | C18H16O7

Methyl 3-(1,3-benzodioxol-5-yl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate

  • Molecular FormulaC18H16O7
  • Average mass344.315 Da
  • Monoisotopic mass344.089600 Da
  • ChemSpider ID34497328

More details:






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

1,3-Benzodioxole-5-propanoic acid, β-1,3-benzodioxol-5-yl-6-hydroxy-, methyl ester [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(1,3-benzodioxol-5-yl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(1,3-benzodioxol-5-yl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoat [German] [ACD/IUPAC Name]
1676083-33-2 [RN]
C18H16O7
methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-(6-hydroxybenzo[d][1,3]dioxol-5-yl)propanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 187.0±23.6 °C
Index of Refraction: 1.620
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.34
ACD/KOC (pH 5.5): 678.00
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.05
ACD/KOC (pH 7.4): 674.89
Polar Surface Area: 83 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 243.4±3.0 cm3

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