ChemSpider 2D Image | Diethyl 2-carbamoyl-3-hydroxy-2-butenedioate | C9H13NO6

Diethyl 2-carbamoyl-3-hydroxy-2-butenedioate

  • Molecular FormulaC9H13NO6
  • Average mass231.203 Da
  • Monoisotopic mass231.074280 Da
  • ChemSpider ID57527629

More details:

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

2-Butenedioic acid, 2-(aminocarbonyl)-3-hydroxy-, diethyl ester [ACD/Index Name]
2-Carbamoyl-3-hydroxy-2-butènedioate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2-carbamoyl-3-hydroxy-2-butenedioate [ACD/IUPAC Name]
Diethyl-2-carbamoyl-3-hydroxy-2-butendioat [German] [ACD/IUPAC Name]
90279-98-4 [RN]
Diethyl 2-carbamoyl-3-hydroxybut-2-enedioate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 428.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 213.0±28.7 °C
Index of Refraction: 1.506
Molar Refractivity: 52.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.61
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 175.6±3.0 cm3

Click to predict properties on the Chemicalize site


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