ChemSpider 2D Image | 2-(3,4-Dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxo-3-pyrrolidinecarboxylic acid | C18H23NO6

2-(3,4-Dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxo-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC18H23NO6
  • Average mass349.378 Da
  • Monoisotopic mass349.152527 Da
  • ChemSpider ID30170121

More details:

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

1311885-02-5 [RN]
2-(3,4-Dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxo-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
2-(3,4-Dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxo-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
3-Pyrrolidinecarboxylic acid, 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxo- [ACD/Index Name]
Acide 2-(3,4-dihydro-2H-1,5-benzodioxépin-6-yl)-1-(3-méthoxypropyl)-5-oxo-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
MFCD22578673

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.9±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.16
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 276.3±3.0 cm3

Click to predict properties on the Chemicalize site


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