ChemSpider 2D Image | (2R)-2-Acetoxysuccinic acid | C6H8O6

(2R)-2-Acetoxysuccinic acid

  • Molecular FormulaC6H8O6
  • Average mass176.124 Da
  • Monoisotopic mass176.032089 Da
  • ChemSpider ID96438882

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Acetoxybernsteinsäure [German] [ACD/IUPAC Name]
(2R)-2-Acetoxysuccinic acid [ACD/IUPAC Name]
Acide (2R)-2-acétoxysuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(acetyloxy)-, (2R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 311.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.7±6.0 kJ/mol
Flash Point: 130.0±18.6 °C
Index of Refraction: 1.487
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 120.7±3.0 cm3

Click to predict properties on the Chemicalize site


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