ChemSpider 2D Image | 4-[(5-Hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]-1,3-benzenediol | C14H13NO5S

4-[(5-Hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]-1,3-benzenediol

  • Molecular FormulaC14H13NO5S
  • Average mass307.322 Da
  • Monoisotopic mass307.051453 Da
  • ChemSpider ID35034230

More details:






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

1,3-Benzenediol, 4-[(1,3-dihydro-5-hydroxy-2H-isoindol-2-yl)sulfonyl]- [ACD/Index Name]
4-[(5-Hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]-1,3-benzenediol [ACD/IUPAC Name]
4-[(5-Hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[(5-Hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[(5-Hydroxy-1,3-Dihydro-2h-Isoindol-2-Yl)sulfonyl]benzene-1,3-Diol
PV8

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

Density: 1.6±0.1 g/cm3
Boiling Point: 604.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 319.3±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.50
ACD/KOC (pH 5.5): 320.22
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 6.05
ACD/KOC (pH 7.4): 86.14
Polar Surface Area: 106 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 81.9±3.0 dyne/cm
Molar Volume: 192.1±3.0 cm3

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