ChemSpider 2D Image | (3E)-4-(1H-Imidazol-4-yl)-3-butenoic acid | C7H8N2O2

(3E)-4-(1H-Imidazol-4-yl)-3-butenoic acid

  • Molecular FormulaC7H8N2O2
  • Average mass152.151 Da
  • Monoisotopic mass152.058578 Da
  • ChemSpider ID35035431
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-4-(1H-Imidazol-4-yl)-3-butenoic acid [ACD/IUPAC Name]
(3E)-4-(1H-Imidazol-4-yl)-3-butensäure [German] [ACD/IUPAC Name]
(3e)-4-(1h-Imidazol-4-Yl)but-3-Enoic Acid
3-Butenoic acid, 4-(1H-imidazol-4-yl)-, (3E)- [ACD/Index Name]
Acide (3E)-4-(1H-imidazol-4-yl)-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 477.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.4±23.2 °C
Index of Refraction: 1.642
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 113.1±3.0 cm3

Click to predict properties on the Chemicalize site






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