ChemSpider 2D Image | 3-Cyano-2-oxopropanoic acid | C4H3NO3

3-Cyano-2-oxopropanoic acid

  • Molecular FormulaC4H3NO3
  • Average mass113.072 Da
  • Monoisotopic mass113.011292 Da
  • ChemSpider ID57375965

More details:

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

3-Cyan-2-oxopropansäure [German] [ACD/IUPAC Name]
3-Cyano-2-oxopropanoic acid [ACD/IUPAC Name]
Acide 3-cyano-2-oxopropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-cyano-2-oxo- [ACD/Index Name]
858276-14-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 278.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.9±6.0 kJ/mol
Flash Point: 122.4±22.6 °C
Index of Refraction: 1.466
Molar Refractivity: 22.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -5.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 79.7±3.0 cm3

Click to predict properties on the Chemicalize site


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