ChemSpider 2D Image | 4-[(1E)-3-Oxo-1-propen-1-yl]phenyl hydrogen sulfate | C9H8O5S

4-[(1E)-3-Oxo-1-propen-1-yl]phenyl hydrogen sulfate

  • Molecular FormulaC9H8O5S
  • Average mass228.222 Da
  • Monoisotopic mass228.009247 Da
  • ChemSpider ID74853781

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Propenal, 3-[4-(sulfooxy)phenyl]-, (2E)- [ACD/Index Name]
4-[(1E)-3-Oxo-1-propen-1-yl]phenyl hydrogen sulfate [ACD/IUPAC Name]
4-[(1E)-3-Oxo-1-propen-1-yl]phenylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 4-[(1E)-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
{4-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid

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

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 53.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 153.8±3.0 cm3

Click to predict properties on the Chemicalize site


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