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Search term: 78436719 (Found by CSID)
ChemSpider 2D Image | (3S)-10-Hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4(3H)-one | C16H16O5

(3S)-10-Hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4(3H)-one

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID78436719

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-10-Hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4(3H)-on [German] [ACD/IUPAC Name]
(3S)-10-Hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4(3H)-one [ACD/IUPAC Name]
(3S)-10-Hydroxy-7,9-diméthoxy-3-méthyl-1H-benzo[g]isochromén-4(3H)-one [French] [ACD/IUPAC Name]
1H-Naphtho[2,3-c]pyran-4(3H)-one, 10-hydroxy-7,9-dimethoxy-3-methyl-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 195.4±23.6 °C
Index of Refraction: 1.612
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.49
ACD/KOC (pH 5.5): 886.44
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 50.78
ACD/KOC (pH 7.4): 486.66
Polar Surface Area: 65 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 224.3±3.0 cm3

Click to predict properties on the Chemicalize site


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