ChemSpider 2D Image | 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl hydrogen sulfite | C16H16O8S

3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl hydrogen sulfite

  • Molecular FormulaC16H16O8S
  • Average mass368.358 Da
  • Monoisotopic mass368.056580 Da
  • ChemSpider ID74849512

More details:

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

2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, 7-(hydrogen sulfite) [ACD/Index Name]
3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl hydrogen sulfite [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ylhydrogensulfit [German] [ACD/IUPAC Name]
Hydrogénosulfite de 3,5-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfinic acid

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: 1.6±0.1 g/cm3
Boiling Point: 683.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.3±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 90.0±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

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