ChemSpider 2D Image | 5-(4-Methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid | C18H23NO4

5-(4-Methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC18H23NO4
  • Average mass317.379 Da
  • Monoisotopic mass317.162720 Da
  • ChemSpider ID21800772

More details:






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

1H-Pyrrole-3-carboxylic acid, 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethyl- [ACD/Index Name]
5-(4-Methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(4-Methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
879329-84-7 [RN]
Acide 5-(4-méthoxyphényl)-1-(3-méthoxypropyl)-2,4-diméthyl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxylic acid

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

MFCD12027409 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.5±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 88.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 545.88
ACD/KOC (pH 5.5): 3062.07
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 55.69
ACD/KOC (pH 7.4): 312.42
Polar Surface Area: 61 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 280.2±7.0 cm3

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