ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one | C29H23NO9

1-(1,3-Benzodioxol-5-yl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H23NO9
  • Average mass529.494 Da
  • Monoisotopic mass529.137268 Da
  • ChemSpider ID34823757

More details:

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

1-(1,3-Benzodioxol-5-yl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-5-(3-éthoxy-4-hydroxyphényl)-3-hydroxy-4-[(7-méthoxy-1-benzofuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(1,3-benzodioxol-5-yl)-5-(3-ethoxy-4-hydroxyphenyl)-1,5-dihydro-3-hydroxy-4-[(7-methoxy-2-benzofuranyl)carbonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 4.13
ACD/KOC (pH 5.5): 49.13
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

Click to predict properties on the Chemicalize site


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