ChemSpider 2D Image | (2S)-2,5,8-Trihydroxy-6-methoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one | C15H14O6

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

  • Molecular FormulaC15H14O6
  • Average mass290.268 Da
  • Monoisotopic mass290.079041 Da
  • ChemSpider ID81368109
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2,5,8-Trihydroxy-6-methoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2,5,8-Trihydroxy-6-methoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one [ACD/IUPAC Name]
(2S)-2,5,8-Trihydroxy-6-méthoxy-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-2,5,8-trihydroxy-6-methoxy-2-methyl-, (2S)- [ACD/Index Name]
3748-39-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 599.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 230.8±23.6 °C
Index of Refraction: 1.695
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.65
ACD/KOC (pH 5.5): 308.85
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 52.17
Polar Surface Area: 96 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 194.2±3.0 cm3

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