ChemSpider 2D Image | (2S)-Phenyl(sulfo)acetic acid | C8H8O5S

(2S)-Phenyl(sulfo)acetic acid

  • Molecular FormulaC8H8O5S
  • Average mass216.211 Da
  • Monoisotopic mass216.009247 Da
  • ChemSpider ID32809880

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Phenyl(sulfo)acetic acid [ACD/IUPAC Name]
(2S)-Phenyl(sulfo)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-phényl(sulfo)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-sulfo-, (αS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 48.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -5.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 136.2±3.0 cm3

Click to predict properties on the Chemicalize site


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