ChemSpider 2D Image | (5E)-5-(Hydroxyimino)-4-[(2Z)-2-(hydroxyimino)propyl]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol 1-oxide | C9H12N4O5

(5E)-5-(Hydroxyimino)-4-[(2Z)-2-(hydroxyimino)propyl]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol 1-oxide

  • Molecular FormulaC9H12N4O5
  • Average mass256.215 Da
  • Monoisotopic mass256.080780 Da
  • ChemSpider ID21211665

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E) 1-Oxyde de 5-(hydroxyimino)-4-[(2Z)-2-(hydroxyimino)propyl]-4,5,6,7-tétrahydro-2,1,3-benzoxadiazol-4-ol [French] [ACD/IUPAC Name]
(5E)-5-(Hydroxyimino)-4-[(2Z)-2-(hydroxyimino)propyl]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol 1-oxide [ACD/IUPAC Name]
(5E)-5-(Hydroxyimino)-4-[(2Z)-2-(hydroxyimino)propyl]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol-1-oxid [German] [ACD/IUPAC Name]
2,1,3-Benzoxadiazol-5(4H)-one, 6,7-dihydro-4-hydroxy-4-[(2Z)-2-(hydroxyimino)propyl]-, oxime, 1-oxide, (5E)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 587.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.9±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 57.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.46
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.30
Polar Surface Area: 137 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 79.6±7.0 dyne/cm
Molar Volume: 145.6±7.0 cm3

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