ChemSpider 2D Image | {2-Methoxy-4-[(2E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoyl]phenoxy}acetic acid | C19H15NO9

{2-Methoxy-4-[(2E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoyl]phenoxy}acetic acid

  • Molecular FormulaC19H15NO9
  • Average mass401.324 Da
  • Monoisotopic mass401.074677 Da
  • ChemSpider ID24509709
  • Double-bond stereo - Double-bond stereo


More details:






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

{2-Methoxy-4-[(2E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoyl]phenoxy}acetic acid [ACD/IUPAC Name]
{2-Methoxy-4-[(2E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[2-methoxy-4-[(2E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]phenoxy]- [ACD/Index Name]
Acide {2-méthoxy-4-[(2E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoyl]phénoxy}acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 645.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.2±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 272.0±3.0 cm3

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