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

(2Z)-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 ID28604434
  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acrylic acid [ACD/IUPAC Name]
(2Z)-3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acrylique [French] [ACD/IUPAC Name]
(2Z)-3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)prop-2-enoic acid
(Z)-3-(5-hydroxy-1H-1,2,4-triazol-3-yl)acrylic acid
(Z)-3-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)prop-2-enoic acid
1394306-92-3 [RN]
2-propenoic acid, 3-(5-hydroxy-1H-1,2,4-triazol-3-yl), (2Z)
3-(4,5-Dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-(2Z)-2-propenoic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 34.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -3.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 78.2±7.0 dyne/cm
Molar Volume: 90.4±7.0 cm3

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