ChemSpider 2D Image | 3-[3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid | C18H21NO5

3-[3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid

  • Molecular FormulaC18H21NO5
  • Average mass331.363 Da
  • Monoisotopic mass331.141968 Da
  • ChemSpider ID21800590

More details:






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

1H-Pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl- [ACD/Index Name]
3-[3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid [ACD/IUPAC Name]
3-[3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[3-(éthoxycarbonyl)-5-(4-méthoxyphényl)-2-méthyl-1H-pyrrol-1-yl]propanoïque [French] [ACD/IUPAC Name]
3-(3-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl)propanoic acid
3-[3-(ETHOXYCARBONYL)-5-(4-METHOXYPHENYL)-2-METHYLPYRROL-1-YL]PROPANOIC ACID
3-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]propanoic acid
853104-97-9 [RN]

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

MFCD12027253 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.4±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 23.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

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