ChemSpider 2D Image | 3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid | C12H17NO4

3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid

  • Molecular FormulaC12H17NO4
  • Average mass239.268 Da
  • Monoisotopic mass239.115753 Da
  • ChemSpider ID21512705

More details:

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

1H-Pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-2,5-dimethyl- [ACD/Index Name]
3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid
3-[3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]propanoic acid [ACD/IUPAC Name]
3-[3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]propansäure [German] [ACD/IUPAC Name]
876294-66-5 [RN]
Acide 3-[3-(éthoxycarbonyl)-2,5-diméthyl-1H-pyrrol-1-yl]propanoïque [French] [ACD/IUPAC Name]
3-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
3-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)propanoic acid
3-[3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl] propanoic acid
3-[3-(ethoxycarbonyl)-2,5-dimethylpyrrolyl]propanoic acid

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

MFCD09871352 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 401.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 196.7±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 62.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.86
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 203.8±7.0 cm3

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