ChemSpider 2D Image | 4-Oxo-2-oxetanecarboxylic acid | C4H4O4

4-Oxo-2-oxetanecarboxylic acid

  • Molecular FormulaC4H4O4
  • Average mass116.072 Da
  • Monoisotopic mass116.010956 Da
  • ChemSpider ID32990507

More details:






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

2-Oxetanecarboxylic acid, 4-oxo- [ACD/Index Name]
4-Oxo-2-oxetancarbonsäure [German] [ACD/IUPAC Name]
4-Oxo-2-oxetanecarboxylic acid [ACD/IUPAC Name]
Acide 4-oxo-2-oxétanecarboxylique [French] [ACD/IUPAC Name]
4-carboxy-2-oxetanone
4-oxooxetane-2-carboxylic acid
90730-97-5 [RN]
MFCD19228927
OC(=O)C1CC(=O)O1

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

Density: 1.6±0.1 g/cm3
Boiling Point: 356.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.2±6.0 kJ/mol
Flash Point: 169.1±19.4 °C
Index of Refraction: 1.525
Molar Refractivity: 21.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 8.6±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 70.8±3.0 cm3

Click to predict properties on the Chemicalize site






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