ChemSpider 2D Image | Caffeic acid 3-sulfate | C9H8O7S

Caffeic acid 3-sulfate

  • Molecular FormulaC9H8O7S
  • Average mass260.221 Da
  • Monoisotopic mass259.999084 Da
  • ChemSpider ID30777605

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-Hydroxy-3-(sulfooxy)phenyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[4-Hydroxy-3-(sulfooxy)phenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-hydroxy-3-(sulfooxy)phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-hydroxy-3-(sulfooxy)phényl]acrylique [French] [ACD/IUPAC Name]
Caffeic acid 3-sulfate
(2E)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid
151481-52-6 [RN]
caffeic acid 3'-O-sulfate
caffeic acid 3-O-sulfate
caffeic acid 3'-sulfate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

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: 1.670
Molar Refractivity: 55.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -5.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 92.7±3.0 dyne/cm
Molar Volume: 149.5±3.0 cm3

Click to predict properties on the Chemicalize site


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