Found 1 result

Search term: 28289076 (Found by CSID)
ChemSpider 2D Image | (3S)-6,8-Dihydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one | C11H12O4

(3S)-6,8-Dihydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC11H12O4
  • Average mass208.211 Da
  • Monoisotopic mass208.073563 Da
  • ChemSpider ID28289076

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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(3S)-6,8-Dihydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
(3S)-6,8-Dihydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
(3S)-6,8-Dihydroxy-3,7-diméthyl-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3,7-dimethyl-, (3S)- [ACD/Index Name]
monaschromone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 197.3±19.2 °C
Index of Refraction: 1.597
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.98
ACD/KOC (pH 5.5): 713.02
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 62.48
ACD/KOC (pH 7.4): 655.33
Polar Surface Area: 67 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 156.9±3.0 cm3

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