ChemSpider 2D Image | 1-[(2E,4E)-2,4-Hexadienoyl]-4-[(1E,3E)-1,3-pentadien-1-yl]-1,4-dihydro-5H-tetrazol-5-one | C12H14N4O2

1-[(2E,4E)-2,4-Hexadienoyl]-4-[(1E,3E)-1,3-pentadien-1-yl]-1,4-dihydro-5H-tetrazol-5-one

  • Molecular FormulaC12H14N4O2
  • Average mass246.265 Da
  • Monoisotopic mass246.111679 Da
  • ChemSpider ID29354294

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(2E,4E)-2,4-Hexadienoyl]-4-[(1E,3E)-1,3-pentadien-1-yl]-1,4-dihydro-5H-tetrazol-5-on [German] [ACD/IUPAC Name]
1-[(2E,4E)-2,4-Hexadienoyl]-4-[(1E,3E)-1,3-pentadien-1-yl]-1,4-dihydro-5H-tetrazol-5-one [ACD/IUPAC Name]
1-[(2E,4E)-2,4-Hexadienoyl]-4-[(1E,3E)-1,3-pentadién-1-yl]-1,4-dihydro-5H-tétrazol-5-one [French] [ACD/IUPAC Name]
5H-Tetrazol-5-one, 1,4-dihydro-1-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-4-[(1E,3E)-1,3-pentadien-1-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 341.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 160.3±23.2 °C
Index of Refraction: 1.552
Molar Refractivity: 70.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.47
ACD/KOC (pH 5.5): 199.55
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.47
ACD/KOC (pH 7.4): 199.55
Polar Surface Area: 65 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 221.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement