ChemSpider 2D Image | 2,6-Dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]-3-cyclohexen-1-one | C13H14N2O6

2,6-Dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]-3-cyclohexen-1-one

  • Molecular FormulaC13H14N2O6
  • Average mass294.260 Da
  • Monoisotopic mass294.085175 Da
  • ChemSpider ID26502609

More details:






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

2,6-Dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]-3-cyclohexen-1-on [German] [ACD/IUPAC Name]
2,6-Dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]-3-cyclohexen-1-one [ACD/IUPAC Name]
2,6-Dihydroxy-3-(hydroxyméthyl)-5-[(4-nitrophényl)amino]-3-cyclohexén-1-one [French] [ACD/IUPAC Name]
3-Cyclohexen-1-one, 2,6-dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]- [ACD/Index Name]
(2r,5s,6s)-2,6-dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]cyclohex-3-en-1-one
98449-05-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 639.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.721
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 37.97
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 37.97
Polar Surface Area: 136 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 95.5±3.0 dyne/cm
Molar Volume: 183.6±3.0 cm3

Click to predict properties on the Chemicalize site






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