ChemSpider 2D Image | 4-[(2S)-6,7-Dimethoxy-3,4-dihydro-2H-chromen-2-yl]-1,2-benzenediol | C17H18O5

4-[(2S)-6,7-Dimethoxy-3,4-dihydro-2H-chromen-2-yl]-1,2-benzenediol

  • Molecular FormulaC17H18O5
  • Average mass302.322 Da
  • Monoisotopic mass302.115417 Da
  • ChemSpider ID30824222

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(2S)-3,4-dihydro-6,7-dimethoxy-2H-1-benzopyran-2-yl]- [ACD/Index Name]
4-[(2S)-6,7-Dimethoxy-3,4-dihydro-2H-chromen-2-yl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(2S)-6,7-Diméthoxy-3,4-dihydro-2H-chromén-2-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(2S)-6,7-Dimethoxy-3,4-dihydro-2H-chromen-2-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 249.2±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.03
ACD/KOC (pH 5.5): 743.33
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.10
ACD/KOC (pH 7.4): 733.72
Polar Surface Area: 68 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 236.4±3.0 cm3

Click to predict properties on the Chemicalize site


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