ChemSpider 2D Image | N-[(3R,4R)-6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-N-hydroxyacetamide | C14H16N2O4

N-[(3R,4R)-6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-N-hydroxyacetamide

  • Molecular FormulaC14H16N2O4
  • Average mass276.288 Da
  • Monoisotopic mass276.110992 Da
  • ChemSpider ID114816595

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[(3R,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-hydroxy- [ACD/Index Name]
N-[(3R,4R)-6-Cyan-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-N-hydroxyacetamid [German] [ACD/IUPAC Name]
N-[(3R,4R)-6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-N-hydroxyacetamide [ACD/IUPAC Name]
N-[(3R,4R)-6-Cyano-3-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-4-yl]-N-hydroxyacétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 455.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 229.2±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 58.41
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 56.04
Polar Surface Area: 94 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 201.8±5.0 cm3

Click to predict properties on the Chemicalize site


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