ChemSpider 2D Image | (1R)-4-Oxo-2-cyclobutene-1-carbaldehyde | C5H4O2

(1R)-4-Oxo-2-cyclobutene-1-carbaldehyde

  • Molecular FormulaC5H4O2
  • Average mass96.084 Da
  • Monoisotopic mass96.021126 Da
  • ChemSpider ID61474910

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-4-Oxo-2-cyclobuten-1-carbaldehyd [German] [ACD/IUPAC Name]
(1R)-4-Oxo-2-cyclobutene-1-carbaldehyde [ACD/IUPAC Name]
(1R)-4-Oxo-2-cyclobutène-1-carbaldéhyde [French] [ACD/IUPAC Name]
2-Cyclobutene-1-carboxaldehyde, 4-oxo-, (1R)- [ACD/Index Name]
1932805-97-4 [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: 210.1±39.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 75.1±24.1 °C
Index of Refraction: 1.658
Molar Refractivity: 24.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.28
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 34 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 67.3±3.0 cm3

Click to predict properties on the Chemicalize site


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