ChemSpider 2D Image | (2S)-2-(Hydroxymethyl)-2-methyl-2H-chromen-6-ol | C11H12O3

(2S)-2-(Hydroxymethyl)-2-methyl-2H-chromen-6-ol

  • Molecular FormulaC11H12O3
  • Average mass192.211 Da
  • Monoisotopic mass192.078644 Da
  • ChemSpider ID23293475

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Hydroxymethyl)-2-methyl-2H-chromen-6-ol [ACD/IUPAC Name]
(2S)-2-(Hydroxymethyl)-2-methyl-2H-chromen-6-ol [German] [ACD/IUPAC Name]
(2S)-2-(Hydroxyméthyl)-2-méthyl-2H-chromén-6-ol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-methanol, 6-hydroxy-2-methyl-, (2S)- [ACD/Index Name]
(S)-2-(hydroxymethyl)-2-methyl-2H-chromen-6-ol
quercinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 383.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 185.6±27.9 °C
Index of Refraction: 1.586
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.93
ACD/KOC (pH 5.5): 229.35
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.91
ACD/KOC (pH 7.4): 228.98
Polar Surface Area: 50 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

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