ChemSpider 2D Image | Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate | C21H22O9

Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate

  • Molecular FormulaC21H22O9
  • Average mass418.394 Da
  • Monoisotopic mass418.126373 Da
  • ChemSpider ID34496890

More details:






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

1,3-Benzodioxole-5-propanoic acid, β-[4-(acetyloxy)-3,5-dimethoxyphenyl]-6-hydroxy-, methyl ester [ACD/Index Name]
3-(4-Acétoxy-3,5-diméthoxyphényl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoat [German] [ACD/IUPAC Name]
1676097-40-7 [RN]
c21h22o9
methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(6-hydroxybenzo[d][1,3]dioxol-5-yl)propanoate
methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 181.6±23.6 °C
Index of Refraction: 1.568
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.47
ACD/KOC (pH 5.5): 811.90
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.04
ACD/KOC (pH 7.4): 807.63
Polar Surface Area: 110 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 317.8±3.0 cm3

Click to predict properties on the Chemicalize site






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