ChemSpider 2D Image | (4E)-4-(Hydroxyimino)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one | C8H9N3O2

(4E)-4-(Hydroxyimino)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one

  • Molecular FormulaC8H9N3O2
  • Average mass179.176 Da
  • Monoisotopic mass179.069473 Da
  • ChemSpider ID28527290

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(Hydroxyimino)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-on [German] [ACD/IUPAC Name]
(4E)-4-(Hydroxyimino)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one [ACD/IUPAC Name]
(4E)-4-(Hydroxyimino)-4,5,6,7-tétrahydropyrrolo[2,3-c]azépin-8(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[2,3-c]azepine-4,8(1H,5H)-dione, 6,7-dihydro-, 4-oxime, (4E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 607.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.2±28.4 °C
Index of Refraction: 1.732
Molar Refractivity: 45.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.51
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.51
Polar Surface Area: 77 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 113.0±7.0 cm3

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