ChemSpider 2D Image | [(3-Methoxy-3-oxopropyl)sulfanyl]acetic acid | C6H10O4S

[(3-Methoxy-3-oxopropyl)sulfanyl]acetic acid

  • Molecular FormulaC6H10O4S
  • Average mass178.206 Da
  • Monoisotopic mass178.029984 Da
  • ChemSpider ID27227074

More details:

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

[(3-Methoxy-3-oxopropyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(3-Methoxy-3-oxopropyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acide [(3-méthoxy-3-oxopropyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(carboxymethyl)thio]-, 1-methyl ester [ACD/Index Name]
821773-52-8 [RN]
MFCD12144229

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

Density: 1.3±0.1 g/cm3
Boiling Point: 313.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.0±6.0 kJ/mol
Flash Point: 143.3±23.7 °C
Index of Refraction: 1.502
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 139.7±3.0 cm3

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