ChemSpider 2D Image | (3S)-6,8-Dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one | C10H10O4

(3S)-6,8-Dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC10H10O4
  • Average mass194.184 Da
  • Monoisotopic mass194.057907 Da
  • ChemSpider ID24686568

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-6,8-Dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
(3S)-6,8-Dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
(3S)-6,8-Dihydroxy-3-méthyl-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-methyl-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 472.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 196.6±19.2 °C
Index of Refraction: 1.608
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.43
ACD/KOC (pH 5.5): 508.59
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 35.39
ACD/KOC (pH 7.4): 424.26
Polar Surface Area: 67 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 140.7±3.0 cm3

Click to predict properties on the Chemicalize site


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