Found 4 results

Search term: POGQHJYTFDLAEG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-1-(3-Pyridinyl)-1,2-ethanediol | C7H9NO2

(1S)-1-(3-Pyridinyl)-1,2-ethanediol

  • Molecular FormulaC7H9NO2
  • Average mass139.152 Da
  • Monoisotopic mass139.063324 Da
  • ChemSpider ID24184798

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(3-Pyridinyl)-1,2-ethandiol [German] [ACD/IUPAC Name]
(1S)-1-(3-Pyridinyl)-1,2-ethanediol [ACD/IUPAC Name]
(1S)-1-(3-Pyridinyl)-1,2-éthanediol [French] [ACD/IUPAC Name]
1,2-Ethanediol, 1-(3-pyridinyl)-, (1S)- [ACD/Index Name]
(S)-1-(pyridin-3-yl)ethane-1,2-diol
1,2-Ethanediol, 1-(3-pyridinyl)-, (1S)- (9CI)
411233-68-6 [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: 336.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 157.2±23.7 °C
Index of Refraction: 1.579
Molar Refractivity: 37.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.24
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.14
Polar Surface Area: 53 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 111.2±3.0 cm3

Click to predict properties on the Chemicalize site


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