ChemSpider 2D Image | [1-Methyl-5-{[4-methyl(2,6-~3~H_2_)phenyl]carbonyl}(~3~H_2_)-1H-pyrrol-2-yl]acetic acid | C15H11T4NO3

[1-Methyl-5-{[4-methyl(2,6-3H2)phenyl]carbonyl}(3H2)-1H-pyrrol-2-yl]acetic acid

  • Molecular FormulaC15H11T4NO3
  • Average mass265.317 Da
  • Monoisotopic mass265.138092 Da
  • ChemSpider ID9405925

  • Non-standard isotope - Non-standard isotope

More details:

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

[1-Methyl-5-{[4-methyl(2,6-3H2)phenyl]carbonyl}(3H2)-1H-pyrrol-2-yl]acetic acid [ACD/IUPAC Name]
[1-Methyl-5-{[4-methyl(2,6-3H2)phenyl]carbonyl}(3H2)-1H-pyrrol-2-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Pyrrole-3,4-t2-2-acetic acid, 1-methyl-5-[(4-methylphenyl-2,6-t2)carbonyl]- [ACD/Index Name]
Acide [1-méthyl-5-{[4-méthyl(2,6-3H2)phényl]carbonyl}(3H2)-1H-pyrrol-2-yl]acétique [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 483.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 246.0±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 24.24
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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