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Search term: RDNWHULVLOSOCD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl 5-(methoxyacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate | C12H17NO4

Ethyl 5-(methoxyacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC12H17NO4
  • Average mass239.268 Da
  • Monoisotopic mass239.115753 Da
  • ChemSpider ID26457676

More details:

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

1306739-44-5 [RN]
1H-Pyrrole-3-carboxylic acid, 5-(2-methoxyacetyl)-2,4-dimethyl-, ethyl ester [ACD/Index Name]
5-(2-Méthoxyacétyl)-2,4-diméthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
ethyl 5-(2-methoxyacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Ethyl 5-(methoxyacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-(methoxyacetyl)-2,4-dimethyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
1H-pyrrole-3-carboxylic acid, 5-(methoxyacetyl)-2,4-dimethyl-, ethyl ester
5-(2-Methoxy-acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 415.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.1±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 63.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.31
ACD/KOC (pH 5.5): 464.22
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.31
ACD/KOC (pH 7.4): 464.22
Polar Surface Area: 68 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 209.1±3.0 cm3

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