ChemSpider 2D Image | 3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-chromanesulfinic acid | C16H16O7S

3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-chromanesulfinic acid

  • Molecular FormulaC16H16O7S
  • Average mass352.359 Da
  • Monoisotopic mass352.061676 Da
  • ChemSpider ID74849514

More details:

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

2H-1-Benzopyran-7-sulfinic acid, 3,4-dihydro-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-chromanesulfinic acid [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-chromansulfinsäure [German] [ACD/IUPAC Name]
Acide 3,5-dihydroxy-2-(3-hydroxy-4-méthoxyphényl)-7-chromanesulfinique [French] [ACD/IUPAC Name]
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-sulfinic 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: 1.7±0.1 g/cm3
Boiling Point: 691.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 371.9±34.3 °C
Index of Refraction: 1.767
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 111.4±5.0 dyne/cm
Molar Volume: 208.4±5.0 cm3

Click to predict properties on the Chemicalize site


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