ChemSpider 2D Image | 3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-3-yl)-2-propynoic acid | C7H3NO4

3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-3-yl)-2-propynoic acid

  • Molecular FormulaC7H3NO4
  • Average mass165.103 Da
  • Monoisotopic mass165.006210 Da
  • ChemSpider ID82991243

More details:

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

2-Propynoic acid, 3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl)- [ACD/Index Name]
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-3-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-3-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 438.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 218.8±28.7 °C
Index of Refraction: 1.638
Molar Refractivity: 35.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 87.0±5.0 dyne/cm
Molar Volume: 99.1±5.0 cm3

Click to predict properties on the Chemicalize site


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