ChemSpider 2D Image | (4R)-4,8-Dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isochromen-1-one | C11H12O6

(4R)-4,8-Dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC11H12O6
  • Average mass240.209 Da
  • Monoisotopic mass240.063385 Da
  • ChemSpider ID44210968

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4,8-Dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
(4R)-4,8-Dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
(4R)-4,8-Dihydroxy-7-(hydroxyméthyl)-6-méthoxy-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 3,4-dihydro-4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-, (4R)- [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: 583.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 234.5±23.6 °C
Index of Refraction: 1.643
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.75
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.49
Polar Surface Area: 96 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 157.0±3.0 cm3

Click to predict properties on the Chemicalize site


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