ChemSpider 2D Image | 7-Hydroxy-3-(4-hydroxybenzyl)-2H-chromen-2-one | C16H12O4

7-Hydroxy-3-(4-hydroxybenzyl)-2H-chromen-2-one

  • Molecular FormulaC16H12O4
  • Average mass268.264 Da
  • Monoisotopic mass268.073547 Da
  • ChemSpider ID24647423

More details:






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

2H-1-Benzopyran-2-one, 7-hydroxy-3-[(4-hydroxyphenyl)methyl]- [ACD/Index Name]
7-Hydroxy-3-(4-hydroxybenzyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Hydroxy-3-(4-hydroxybenzyl)-2H-chromen-2-one [ACD/IUPAC Name]
7-Hydroxy-3-(4-hydroxybenzyl)-2H-chromén-2-one [French] [ACD/IUPAC Name]
ANEMARCOUMARIN A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 212.0±23.6 °C
Index of Refraction: 1.690
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.92
ACD/KOC (pH 5.5): 1069.66
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 94.64
ACD/KOC (pH 7.4): 844.24
Polar Surface Area: 67 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 190.3±3.0 cm3

Click to predict properties on the Chemicalize site






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