ChemSpider 2D Image | (2S)-2,5-Dihydroxy-6,8-dimethoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one | C16H16O6

(2S)-2,5-Dihydroxy-6,8-dimethoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID81367708

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,5-Dihydroxy-6,8-dimethoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2,5-Dihydroxy-6,8-dimethoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one [ACD/IUPAC Name]
(2S)-2,5-Dihydroxy-6,8-diméthoxy-2-méthyl-2,3-dihydro-4H-benzo[g]chromén-4-one [French] [ACD/IUPAC Name]
4H-Naphtho[2,3-b]pyran-4-one, 2,3-dihydro-2,5-dihydroxy-6,8-dimethoxy-2-methyl-, (2S)- [ACD/Index Name]
1856-95-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 209.8±23.6 °C
Index of Refraction: 1.643
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.04
ACD/KOC (pH 5.5): 479.94
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 7.13
ACD/KOC (pH 7.4): 85.41
Polar Surface Area: 85 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 219.8±3.0 cm3

Click to predict properties on the Chemicalize site


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