ChemSpider 2D Image | Methyl 1-oxo-3-[(2-oxo-1-pyrrolidinyl)carbonyl]-1H-isochromene-4-carboxylate | C16H13NO6

Methyl 1-oxo-3-[(2-oxo-1-pyrrolidinyl)carbonyl]-1H-isochromene-4-carboxylate

  • Molecular FormulaC16H13NO6
  • Average mass315.277 Da
  • Monoisotopic mass315.074280 Da
  • ChemSpider ID21119059

More details:

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

1H-2-Benzopyran-4-carboxylic acid, 1-oxo-3-[(2-oxo-1-pyrrolidinyl)carbonyl]-, methyl ester [ACD/Index Name]
1-Oxo-3-[(2-oxo-1-pyrrolidinyl)carbonyl]-1H-isochromène-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 1-oxo-3-[(2-oxo-1-pyrrolidinyl)carbonyl]-1H-isochromene-4-carboxylate [ACD/IUPAC Name]
Methyl-1-oxo-3-[(2-oxo-1-pyrrolidinyl)carbonyl]-1H-isochromen-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 530.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.6±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 55.39
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.91
ACD/KOC (pH 7.4): 55.39
Polar Surface Area: 90 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 214.3±3.0 cm3

Click to predict properties on the Chemicalize site


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