Found 1 result

Search term: BKRXPRMCBOAGQH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4,6-Dihydroxy-3-[(1R)-1-phenylpropyl]-2H-chromen-2-one | C18H16O4

4,6-Dihydroxy-3-[(1R)-1-phenylpropyl]-2H-chromen-2-one

  • Molecular FormulaC18H16O4
  • Average mass296.317 Da
  • Monoisotopic mass296.104858 Da
  • ChemSpider ID30778605

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-[(1R)-1-phenylpropyl]- [ACD/Index Name]
4,6-Dihydroxy-3-[(1R)-1-phenylpropyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4,6-Dihydroxy-3-[(1R)-1-phenylpropyl]-2H-chromen-2-one [ACD/IUPAC Name]
4,6-Dihydroxy-3-[(1R)-1-phénylpropyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
2H-1-BENZOPYRAN-2-ONE, 4,6-DIHYDROXY-3-(1-PHENYLPROPYL)-, (R)-
4,6-dihydroxy-3-[(1R)-1-phenylpropyl]chromen-2-one
6-Hydroxy-R-phenprocoumon

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 197.4±23.6 °C
Index of Refraction: 1.662
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 18.37
ACD/KOC (pH 5.5): 123.42
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.31
Polar Surface Area: 67 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 220.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement