ChemSpider 2D Image | (3S)-4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione | C15H14O4

(3S)-4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione

  • Molecular FormulaC15H14O4
  • Average mass258.269 Da
  • Monoisotopic mass258.089203 Da
  • ChemSpider ID24732061

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[de]chromen-7,8-dion [German] [ACD/IUPAC Name]
(3S)-4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione [ACD/IUPAC Name]
(3S)-4-Hydroxy-3,6,9-triméthyl-2,3-dihydrobenzo[de]chromène-7,8-dione [French] [ACD/IUPAC Name]
Naphtho[1,8-bc]pyran-7,8-dione, 2,3-dihydro-4-hydroxy-3,6,9-trimethyl-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 437.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 166.6±22.2 °C
Index of Refraction: 1.627
Molar Refractivity: 67.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.71
ACD/KOC (pH 5.5): 517.04
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 17.34
ACD/KOC (pH 7.4): 205.13
Polar Surface Area: 64 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 189.8±5.0 cm3

Click to predict properties on the Chemicalize site


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