ChemSpider 2D Image | Dimethyl 5-{[({(2E)-3-[4-(methoxycarbonyl)phenyl]-2-propenoyl}oxy)acetyl]amino}isophthalate | C23H21NO9

Dimethyl 5-{[({(2E)-3-[4-(methoxycarbonyl)phenyl]-2-propenoyl}oxy)acetyl]amino}isophthalate

  • Molecular FormulaC23H21NO9
  • Average mass455.414 Da
  • Monoisotopic mass455.121643 Da
  • ChemSpider ID22908739

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[2-[[(2E)-3-[4-(methoxycarbonyl)phenyl]-1-oxo-2-propen-1-yl]oxy]acetyl]amino]-, dimethyl ester [ACD/Index Name]
5-{[2-({(2E)-3-[4-(Méthoxycarbonyl)phényl]-2-propenoyl}oxy)acétyl]amino}isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-{[({(2E)-3-[4-(methoxycarbonyl)phenyl]-2-propenoyl}oxy)acetyl]amino}isophthalate [ACD/IUPAC Name]
Dimethyl-5-{[({(2E)-3-[4-(methoxycarbonyl)phenyl]-2-propenoyl}oxy)acetyl]amino}isophthalat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.20
ACD/KOC (pH 5.5): 1221.76
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.19
ACD/KOC (pH 7.4): 1221.70
Polar Surface Area: 134 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 341.5±3.0 cm3

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