ChemSpider 2D Image | 4-Hydroxy-6'-oxo-2',5',6',7',8',9'-hexahydro-3'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin[1]ium] | C18H18N3O2

4-Hydroxy-6'-oxo-2',5',6',7',8',9'-hexahydro-3'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin[1]ium]

  • Molecular FormulaC18H18N3O2
  • Average mass308.354 Da
  • Monoisotopic mass308.139343 Da
  • ChemSpider ID57641941

  • Charge - Charge

More details:

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

4-Hydroxy-6'-oxo-2',5',6',7',8',9'-hexahydro-3'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthrolin[1]ium] [ACD/IUPAC Name]
Spiro[cyclohexa-2,5-diene-1,10'(6'H)-pyrrolo[4,3,2-de][1,7]phenanthrolin]-6'-one, 2',3',5',7',8',9'-hexahydro-4-hydroxy-, conjugate monoacid [ACD/Index Name]
2,4-Debromo-3-dihydro-discorhabdin C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 330.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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