ChemSpider 2D Image | 1-[(Allyloxy)carbonyl]proline | C9H13NO4

1-[(Allyloxy)carbonyl]proline

  • Molecular FormulaC9H13NO4
  • Average mass199.204 Da
  • Monoisotopic mass199.084457 Da
  • ChemSpider ID14480513

More details:

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

1,2-Pyrrolidinedicarboxylic acid, 1-(2-propen-1-yl) ester [ACD/Index Name]
1-[(Allyloxy)carbonyl]prolin [German] [ACD/IUPAC Name]
1-[(Allyloxy)carbonyl]proline [ACD/IUPAC Name]
1-[(Allyloxy)carbonyl]proline [French] [ACD/IUPAC Name]
(S)-1-((Allyloxy)carbonyl)pyrrolidine-2-carboxylic acid
(S)-1-(allyloxycarbonyl)pyrrolidine-2-carboxylic acid
1-[(PROP-2-EN-1-YLOXY)CARBONYL]PYRROLIDINE-2-CARBOXYLIC ACID
110637-44-0 [RN]
MFCD02094419 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 339.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.1±6.0 kJ/mol
Flash Point: 159.2±27.9 °C
Index of Refraction: 1.521
Molar Refractivity: 48.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 157.7±3.0 cm3

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