ChemSpider 2D Image | 3-(Hydroxymethyl)-6,8-dimethoxy-2H-chromen-2-one | C12H12O5

3-(Hydroxymethyl)-6,8-dimethoxy-2H-chromen-2-one

  • Molecular FormulaC12H12O5
  • Average mass236.221 Da
  • Monoisotopic mass236.068466 Da
  • ChemSpider ID24645969

More details:

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

2H-1-Benzopyran-2-one, 3-(hydroxymethyl)-6,8-dimethoxy- [ACD/Index Name]
3-(Hydroxymethyl)-6,8-dimethoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-(Hydroxymethyl)-6,8-dimethoxy-2H-chromen-2-one [ACD/IUPAC Name]
3-(Hydroxyméthyl)-6,8-diméthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
130838-24-3 [RN]
3-Hydroxymethyl-6,8-dimethoxycoumarin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 460.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 182.6±22.2 °C
Index of Refraction: 1.567
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 148.82
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.61
ACD/KOC (pH 7.4): 148.82
Polar Surface Area: 65 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 181.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement