ChemSpider 2D Image | Oxo(1H-pyrrol-3-yl)acetate | C6H4NO3

Oxo(1H-pyrrol-3-yl)acetate

  • Molecular FormulaC6H4NO3
  • Average mass138.101 Da
  • Monoisotopic mass138.019669 Da
  • ChemSpider ID57558269

  • Charge - Charge

More details:

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

1H-Pyrrole-3-acetic acid, α-oxo-, ion(1-) [ACD/Index Name]
Oxo(1H-pyrrol-3-yl)acetat [German] [ACD/IUPAC Name]
Oxo(1H-pyrrol-3-yl)acetate [ACD/IUPAC Name]
Oxo(1H-pyrrol-3-yl)acétate [French] [ACD/IUPAC Name]
117954-76-4 [RN]

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

Density:
Boiling Point: 326.9±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 151.5±22.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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