ChemSpider 2D Image | farinomalein | C10H13NO4

farinomalein

  • Molecular FormulaC10H13NO4
  • Average mass211.214 Da
  • Monoisotopic mass211.084457 Da
  • ChemSpider ID24674945

More details:

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1175521-35-3 [RN]
1H-Pyrrole-1-propanoic acid, 2,5-dihydro-3-(1-methylethyl)-2,5-dioxo- [ACD/Index Name]
2,5-dihydro-3-(1-methylethyl)-2,5-dioxo-1H-pyrrole-1-propanoic acid
3-(3-Isopropyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid [ACD/IUPAC Name]
3-(3-Isopropyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(3-isopropyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoïque [French] [ACD/IUPAC Name]
farinomalein
3-(3-isopropyl-2,5-dioxo-pyrrol-1-yl)propanoic acid
3-[2,5-Dioxo-3-(propan-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 384.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.5±6.0 kJ/mol
Flash Point: 186.4±23.2 °C
Index of Refraction: 1.534
Molar Refractivity: 51.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.08
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 164.9±3.0 cm3

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