ChemSpider 2D Image | 2-{[(2E)-3-{3,4-Bis[(~2~H_3_)methyloxy]phenyl}-2-propenoyl]amino}benzoic acid | C18H11D6NO5

2-{[(2E)-3-{3,4-Bis[(2H3)methyloxy]phenyl}-2-propenoyl]amino}benzoic acid

  • Molecular FormulaC18H11D6NO5
  • Average mass333.368 Da
  • Monoisotopic mass333.148346 Da
  • ChemSpider ID34559653

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

2-{[(2E)-3-{3,4-Bis[(2H3)methyloxy]phenyl}-2-propenoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[(2E)-3-{3,4-Bis[(2H3)methyloxy]phenyl}-2-propenoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(2E)-3-{3,4-bis[(2H3)méthyloxy]phényl}-2-propenoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2E)-3-[3,4-bis(methyl-d3-oxy)phenyl]-1-oxo-2-propen-1-yl]amino]- [ACD/Index Name]
Tranilast-d6
Tranilast-d6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 20.64
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 85 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 251.9±3.0 cm3

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