ChemSpider 2D Image | 3-(Carboxyoxy)-3-oxopropanoic acid | C4H4O6

3-(Carboxyoxy)-3-oxopropanoic acid

  • Molecular FormulaC4H4O6
  • Average mass148.071 Da
  • Monoisotopic mass148.000793 Da
  • ChemSpider ID22504617

More details:






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

3-(Carboxyoxy)-3-oxopropanoic acid [ACD/IUPAC Name]
3-(Carboxyoxy)-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-(carboxyoxy)-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(carboxyoxy)-3-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 388.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.0±6.0 kJ/mol
Flash Point: 176.1±21.9 °C
Index of Refraction: 1.496
Molar Refractivity: 25.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -5.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 87.3±3.0 cm3

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