ChemSpider 2D Image | [1-(~2~H_3_)Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid | C15H12D3NO3

[1-(2H3)Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid

  • Molecular FormulaC15H12D3NO3
  • Average mass260.303 Da
  • Monoisotopic mass260.124023 Da
  • ChemSpider ID28573123
  • Non-standard isotope - Non-standard isotope


More details:






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

[1-(2H3)Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid [ACD/IUPAC Name]
[1-(2H3)Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Pyrrole-2-acetic acid, 1-(methyl-d3)-5-(4-methylbenzoyl)- [ACD/Index Name]
Acide [1-(2H3)méthyl-5-(4-méthylbenzoyl)-1H-pyrrol-2-yl]acétique [French] [ACD/IUPAC Name]
1184998-16-0 [RN]
2-[5-(4-methylbenzoyl)-1-(trideuteriomethyl)pyrrol-2-yl]acetic acid
TOLMETIN-D3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
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: 1.582
Molar Refractivity: 72.7±0.5 cm3
#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: 28.8±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 218.0±7.0 cm3

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