ChemSpider 2D Image | Abrectorin | C16H12O6

Abrectorin

  • Molecular FormulaC16H12O6
  • Average mass300.263 Da
  • Monoisotopic mass300.063385 Da
  • ChemSpider ID24701548

More details:

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

2-(3,4-Dihydroxyphenyl)-7-hydroxy-6-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-hydroxy-6-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-7-hydroxy-6-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-6-methoxy- [ACD/Index Name]
76575-03-6 [RN]
Abrectorin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482588/
NSC-122416

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 231.0±25.0 °C
Index of Refraction: 1.697
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 17.96
ACD/KOC (pH 5.5): 272.73
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 81.44
Polar Surface Area: 96 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 198.6±3.0 cm3

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