Found 1 result

Search term: JSHKLJQXXVTMOB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-[(E)-(2,3-Dihydroxybenzylidene)amino]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C10H10N4O3

4-[(E)-(2,3-Dihydroxybenzylidene)amino]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC10H10N4O3
  • Average mass234.211 Da
  • Monoisotopic mass234.075287 Da
  • ChemSpider ID24743756
  • Double-bond stereo - Double-bond stereo


More details:






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

3H-1,2,4-Triazol-3-one, 4-[[(1E)-(2,3-dihydroxyphenyl)methylene]amino]-2,4-dihydro-5-methyl- [ACD/Index Name]
4-[(E)-(2,3-Dihydroxybenzyliden)amino]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-[(E)-(2,3-Dihydroxybenzylidene)amino]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-[(E)-(2,3-Dihydroxybenzylidène)amino]-5-méthyl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 59.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.27
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.66
Polar Surface Area: 98 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 152.5±7.0 cm3

Click to predict properties on the Chemicalize site






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