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Search term: BOXMVCMRAXGVKB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-Dioxiranylacetic acid | C3H4O4

3-Dioxiranylacetic acid

  • Molecular FormulaC3H4O4
  • Average mass104.062 Da
  • Monoisotopic mass104.010956 Da
  • ChemSpider ID61710210

More details:






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

3-Dioxiraneacetic acid [ACD/Index Name]
3-Dioxiranylacetic acid [ACD/IUPAC Name]
3-Dioxiranylessigsäure [German] [ACD/IUPAC Name]
Acide 3-dioxiranylacétique [French] [ACD/IUPAC Name]
MALONATE ION
MLI

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

Density: 1.5±0.1 g/cm3
Boiling Point: 193.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 47.4±6.0 kJ/mol
Flash Point: 92.3±18.6 °C
Index of Refraction: 1.466
Molar Refractivity: 18.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 7.4±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 67.5±3.0 cm3

Click to predict properties on the Chemicalize site






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