ChemSpider 2D Image | 4-[(1E)-3-(2-Hydroxy-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-1,3-benzodioxole-5-carboxylic acid | C18H14O7

4-[(1E)-3-(2-Hydroxy-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-1,3-benzodioxole-5-carboxylic acid

  • Molecular FormulaC18H14O7
  • Average mass342.300 Da
  • Monoisotopic mass342.073944 Da
  • ChemSpider ID24800886
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3-Benzodioxole-5-carboxylic acid, 4-[(1E)-3-(2-hydroxy-4-methoxyphenyl)-3-oxo-1-propen-1-yl]- [ACD/Index Name]
4-[(1E)-3-(2-Hydroxy-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-1,3-benzodioxol-5-carbonsäure [German] [ACD/IUPAC Name]
4-[(1E)-3-(2-Hydroxy-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-1,3-benzodioxole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(1E)-3-(2-hydroxy-4-méthoxyphényl)-3-oxo-1-propén-1-yl]-1,3-benzodioxole-5-carboxylique [French] [ACD/IUPAC Name]
(E)-4-(3-(2-hydroxy-4-methoxyphenyl)-3-oxoprop-1-en-1-yl)benzo[d][1,3]dioxole-5-carboxylic acid
1239853-95-2 [RN]
4-[(1E)-3-(2-hydroxy-4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-1,3-benzodioxole-5-carboxylic acid
4-[(1E)-3-(2-hydroxy-4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-2H-1,3-benzodioxole-5-carboxylic acid
4-[3-(2-hydroxy-4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-2H-1,3-benzodioxole-5-carboxylic acid
4-[3-(2-Hydroxy-4-methoxy-phenyl)-3-oxo-propenyl]-benzo[1,3]dioxole-5-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 607.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 225.0±25.0 °C
Index of Refraction: 1.676
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 5.19
ACD/KOC (pH 5.5): 36.82
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

Click to predict properties on the Chemicalize site






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