ChemSpider 2D Image | Dimethyl 5-(3-{(2E)-2-cyano-3-[4-(2-furoyloxy)-3-methoxyphenyl]-2-propenoyl}-2,5-dimethyl-1H-pyrrol-1-yl)isophthalate | C32H26N2O9

Dimethyl 5-(3-{(2E)-2-cyano-3-[4-(2-furoyloxy)-3-methoxyphenyl]-2-propenoyl}-2,5-dimethyl-1H-pyrrol-1-yl)isophthalate

  • Molecular FormulaC32H26N2O9
  • Average mass582.557 Da
  • Monoisotopic mass582.163818 Da
  • ChemSpider ID4778675

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenedicarboxylic acid, 5-[3-[(2E)-2-cyano-3-[4-[(2-furanylcarbonyl)oxy]-3-methoxyphenyl]-1-oxo-2-propen-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl]-, dimethyl ester [ACD/Index Name]
5-(3-{(2E)-2-Cyano-3-[4-(2-furoyloxy)-3-méthoxyphényl]-2-propenoyl}-2,5-diméthyl-1H-pyrrol-1-yl)isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-(3-{(2E)-2-cyano-3-[4-(2-furoyloxy)-3-methoxyphenyl]-2-propenoyl}-2,5-dimethyl-1H-pyrrol-1-yl)isophthalate [ACD/IUPAC Name]
Dimethyl-5-(3-{(2E)-2-cyan-3-[4-(2-furoyloxy)-3-methoxyphenyl]-2-propenoyl}-2,5-dimethyl-1H-pyrrol-1-yl)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: 801.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.6±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 155.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10847.40
ACD/KOC (pH 5.5): 26920.01
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10847.40
ACD/KOC (pH 7.4): 26920.01
Polar Surface Area: 147 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 457.5±7.0 cm3

Click to predict properties on the Chemicalize site


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