ChemSpider 2D Image | (2S)-1,1,2-Propanetriol | C3H8O3

(2S)-1,1,2-Propanetriol

  • Molecular FormulaC3H8O3
  • Average mass92.094 Da
  • Monoisotopic mass92.047340 Da
  • ChemSpider ID61468587
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1,1,2-Propanetriol [ACD/IUPAC Name]
(2S)-1,1,2-Propanetriol [French] [ACD/IUPAC Name]
(2S)-1,1,2-Propantriol [German] [ACD/IUPAC Name]
1,1,2-Propanetriol, (2S)- [ACD/Index Name]
1931934-03-0 [RN]
Pyruvic acid [Wiki]
Pyruvic acid, 3-mercapto-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 233.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.6±6.0 kJ/mol
Flash Point: 118.1±16.4 °C
Index of Refraction: 1.486
Molar Refractivity: 20.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.11
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 61 Å2
Polarizability: 8.1±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 71.3±3.0 cm3

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