ChemSpider 2D Image | (2E)-3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acrylic acid | C5H5N3O3

(2E)-3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acrylic acid

  • Molecular FormulaC5H5N3O3
  • Average mass155.111 Da
  • Monoisotopic mass155.033096 Da
  • ChemSpider ID29345268
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3-hydroxy-1H-1,2,4-triazol-5-yl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acrylique [French] [ACD/IUPAC Name]
(2E)-3-(3-hydroxy-1H-1,2,4-triazol-5-yl)prop-2-enoic acid
(E)-3-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)prop-2-enoic acid
1394306-92-3 [RN]
3-(5-Hydroxy-1H-1,2,4-triazol-3-yl)acrylic acid
MFCD22422026 [MDL number]
VS-12130

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

Density: 1.8±0.1 g/cm3
Boiling Point: 553.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.3±30.7 °C
Index of Refraction: 1.757
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 124.8±3.0 dyne/cm
Molar Volume: 88.2±3.0 cm3

Click to predict properties on the Chemicalize site






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