ChemSpider 2D Image | (6S,7S,7aR)-6,7-Dihydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one | C8H8O4

(6S,7S,7aR)-6,7-Dihydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one

  • Molecular FormulaC8H8O4
  • Average mass168.147 Da
  • Monoisotopic mass168.042252 Da
  • ChemSpider ID114815293

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,7S,7aR)-6,7-Dihydroxy-7,7a-dihydro-1-benzofuran-2(6H)-on [German] [ACD/IUPAC Name]
(6S,7S,7aR)-6,7-Dihydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one [ACD/IUPAC Name]
(6S,7S,7aR)-6,7-Dihydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one [French] [ACD/IUPAC Name]
2(6H)-Benzofuranone, 7,7a-dihydro-6,7-dihydroxy-, (6S,7S,7aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 491.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.3±6.0 kJ/mol
Flash Point: 212.4±22.2 °C
Index of Refraction: 1.633
Molar Refractivity: 39.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.38
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.38
Polar Surface Area: 67 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 110.5±5.0 cm3

Click to predict properties on the Chemicalize site


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