ChemSpider 2D Image | (2Z)-3-[(Carboxymethyl)sulfanyl]-2-hydroxyacrylic acid | C5H6O5S

(2Z)-3-[(Carboxymethyl)sulfanyl]-2-hydroxyacrylic acid

  • Molecular FormulaC5H6O5S
  • Average mass178.163 Da
  • Monoisotopic mass177.993591 Da
  • ChemSpider ID26329388

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[(Carboxymethyl)sulfanyl]-2-hydroxyacrylic acid [ACD/IUPAC Name]
(2Z)-3-[(Carboxymethyl)sulfanyl]-2-hydroxyacrylsäure [German] [ACD/IUPAC Name]
(2z)-3-[(Carboxymethyl)sulfanyl]-2-Hydroxyprop-2-Enoic Acid
2-Propenoic acid, 3-[(carboxymethyl)thio]-2-hydroxy-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-[(carboxyméthyl)sulfanyl]-2-hydroxyacrylique [French] [ACD/IUPAC Name]
XYM

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

Density: 1.7±0.1 g/cm3
Boiling Point: 433.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 215.6±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 91.6±3.0 dyne/cm
Molar Volume: 105.2±3.0 cm3

Click to predict properties on the Chemicalize site


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