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Search term: XEZPQNRXMLVHHC-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Benzyl-5-methyl-1H-imidazole-2-carboxylic acid | C12H12N2O2

1-Benzyl-5-methyl-1H-imidazole-2-carboxylic acid

  • Molecular FormulaC12H12N2O2
  • Average mass216.236 Da
  • Monoisotopic mass216.089874 Da
  • ChemSpider ID45586468

More details:

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

1-Benzyl-5-methyl-1H-imidazol-2-carbonsäure [German] [ACD/IUPAC Name]
1-Benzyl-5-methyl-1H-imidazole-2-carboxylic acid [ACD/IUPAC Name]
1H-Imidazole-2-carboxylic acid, 5-methyl-1-(phenylmethyl)- [ACD/Index Name]
Acide 1-benzyl-5-méthyl-1H-imidazole-2-carboxylique [French] [ACD/IUPAC Name]
740777-24-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 457.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 230.4±29.6 °C
Index of Refraction: 1.605
Molar Refractivity: 61.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.37
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 178.0±7.0 cm3

Click to predict properties on the Chemicalize site


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