ChemSpider 2D Image | 3-(Dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]benzoic acid | C19H21NO3

3-(Dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]benzoic acid

  • Molecular FormulaC19H21NO3
  • Average mass311.375 Da
  • Monoisotopic mass311.152130 Da
  • ChemSpider ID35033770
  • Double-bond stereo - Double-bond stereo


More details:






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

3-(Dimethylamino)-5-[(E)-2-(4-Hydroxy-3,5-Dimethylphenyl)ethenyl]benzoic Acid
3-(Dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]benzoesäure [German] [ACD/IUPAC Name]
3-(Dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)vinyl]benzoic acid [ACD/IUPAC Name]
Acide 3-(diméthylamino)-5-[(E)-2-(4-hydroxy-3,5-diméthylphényl)vinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 532.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 275.9±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 90.35
ACD/KOC (pH 5.5): 394.27
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 11.57
Polar Surface Area: 61 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

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