ChemSpider 2D Image | 1-(3,4,5-Trimethoxyphenyl)-1,2,3-propanetriol | C12H18O6

1-(3,4,5-Trimethoxyphenyl)-1,2,3-propanetriol

  • Molecular FormulaC12H18O6
  • Average mass258.268 Da
  • Monoisotopic mass258.110352 Da
  • ChemSpider ID28574251

More details:

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

1-(3,4,5-Trimethoxyphenyl)-1,2,3-propanetriol [ACD/IUPAC Name]
1-(3,4,5-Triméthoxyphényl)-1,2,3-propanetriol [French] [ACD/IUPAC Name]
1-(3,4,5-Trimethoxyphenyl)-1,2,3-propantriol [German] [ACD/IUPAC Name]
1,2,3-Propanetriol, 1-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
1,2,3-PROPANETRIOL, 1-(3,4,5-TRIMETHOXYPHENYL)-, (1R,2R)- [ACD/Index Name]
674359-59-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 477.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.4±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.86
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.86
Polar Surface Area: 88 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


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