ChemSpider 2D Image | Pyruvoyl hydrogen sulfate | C3H4O6S

Pyruvoyl hydrogen sulfate

  • Molecular FormulaC3H4O6S
  • Average mass168.125 Da
  • Monoisotopic mass167.972855 Da
  • ChemSpider ID66424629

More details:

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

1,2-Propanedione, 1-(sulfooxy)- [ACD/Index Name]
Hydrogénosulfate de pyruvoyle [French] [ACD/IUPAC Name]
Pyruvoyl hydrogen sulfate [ACD/IUPAC Name]
Pyruvoylhydrogensulfat [German] [ACD/IUPAC Name]
O-sulfopyruvate

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.493
Molar Refractivity: 28.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -5.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 97.2±3.0 cm3

Click to predict properties on the Chemicalize site


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