ChemSpider 2D Image | alphitonin | C15H12O7

alphitonin

  • Molecular FormulaC15H12O7
  • Average mass304.252 Da
  • Monoisotopic mass304.058289 Da
  • ChemSpider ID24846209

More details:






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

2-(3,4-Dihydroxybenzyl)-2,4,6-trihydroxy-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxybenzyl)-2,4,6-trihydroxy-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
2-(3,4-Dihydroxybenzyl)-2,4,6-trihydroxy-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy- [ACD/Index Name]
493-36-7 [RN]
alphitonin
2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3(2H)-one
2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-2,3-dihydro-1-benzofuran-3-one
2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69013

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

  • Miscellaneous

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

Density: 1.8±0.1 g/cm3
Boiling Point: 678.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 260.5±25.0 °C
Index of Refraction: 1.794
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.15
ACD/KOC (pH 5.5): 168.86
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 71.04
Polar Surface Area: 127 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 113.3±3.0 dyne/cm
Molar Volume: 173.5±3.0 cm3

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