ChemSpider 2D Image | Methyl 5-acetoxy-3,4-dihydroxy-1H-pyrrole-2-carboxylate | C8H9NO6

Methyl 5-acetoxy-3,4-dihydroxy-1H-pyrrole-2-carboxylate

  • Molecular FormulaC8H9NO6
  • Average mass215.160 Da
  • Monoisotopic mass215.042984 Da
  • ChemSpider ID21242051

More details:

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

1H-Pyrrole-2-carboxylic acid, 5-(acetyloxy)-3,4-dihydroxy-, methyl ester [ACD/Index Name]
5-Acétoxy-3,4-dihydroxy-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-acetoxy-3,4-dihydroxy-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-5-acetoxy-3,4-dihydroxy-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
1632-19-5 [RN]
3,4-Dihydroxypyrrole-2,5-dicarboxylic acid dimethyl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 435.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 216.9±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 140.1±3.0 cm3

Click to predict properties on the Chemicalize site


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