ChemSpider 2D Image | Pencolide | C9H9NO4

Pencolide

  • Molecular FormulaC9H9NO4
  • Average mass195.172 Da
  • Monoisotopic mass195.053162 Da
  • ChemSpider ID24022634
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-(3-Methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-(3-Methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-butensäure [German] [ACD/IUPAC Name]
1D24950547
1H-Pyrrole-1-acetic acid, α-ethylidene-2,5-dihydro-3-methyl-2,5-dioxo-, (αZ)- [ACD/Index Name]
61464-52-6 [RN]
Acide (2Z)-2-(3-méthyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-buténoïque [French] [ACD/IUPAC Name]
Pencolide [Wiki]
UNII:1D24950547

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

Density: 1.4±0.1 g/cm3
Boiling Point: 382.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 185.3±28.4 °C
Index of Refraction: 1.582
Molar Refractivity: 46.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 139.2±3.0 cm3

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