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Search term: KPXICTCPCMUOAP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Dimethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate | C15H15N3O6

Dimethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate

  • Molecular FormulaC15H15N3O6
  • Average mass333.296 Da
  • Monoisotopic mass333.096100 Da
  • ChemSpider ID28469680

More details:

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

1-[2-(4-Méthoxyphényl)-2-oxoéthyl]-1H-1,2,3-triazole-4,5-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-[2-(4-methoxyphenyl)-2-oxoethyl]-, dimethyl ester [ACD/Index Name]
Dimethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate [ACD/IUPAC Name]
Dimethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4,5-dicarboxylat [German] [ACD/IUPAC Name]
[1350929-61-1] [RN]
1-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-1H-[1,2,3]triazole-4,5-dicarboxylic acid dimethyl ester
1350929-61-1 [RN]
4,5-Dimethyl 1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
BS-3541
dimethyl 1-(2-(4-methoxyphenyl)-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 508.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.0±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 84.67
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 84.67
Polar Surface Area: 110 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 246.0±7.0 cm3

Click to predict properties on the Chemicalize site


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