ChemSpider 2D Image | 1-[(1R,2R)-2-Hydroxy-3,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-yl]-2(1H)-pyridinone | C16H16N2O4

1-[(1R,2R)-2-Hydroxy-3,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-yl]-2(1H)-pyridinone

  • Molecular FormulaC16H16N2O4
  • Average mass300.309 Da
  • Monoisotopic mass300.110992 Da
  • ChemSpider ID24681078

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(1R,2R)-2-Hydroxy-3,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-yl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1-[(1R,2R)-2-Hydroxy-3,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-yl]-2(1H)-pyridinone [ACD/IUPAC Name]
1-[(1R,2R)-2-Hydroxy-3,3-diméthyl-6-nitro-2,3-dihydro-1H-indén-1-yl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
2(1H)-Pyridinone, 1-[(1R,2R)-2,3-dihydro-2-hydroxy-3,3-dimethyl-6-nitro-1H-inden-1-yl]- [ACD/Index Name]
1-(2-Hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)-1H-pyridin-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 528.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.1±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.66
ACD/KOC (pH 5.5): 176.46
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.66
ACD/KOC (pH 7.4): 176.46
Polar Surface Area: 86 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 220.0±3.0 cm3

Click to predict properties on the Chemicalize site


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