Found 1 result

Search term: InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h5H,2H2,1H3 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 1-Hydroxy-2,3-butanedione | C4H6O3

1-Hydroxy-2,3-butanedione

  • Molecular FormulaC4H6O3
  • Average mass102.089 Da
  • Monoisotopic mass102.031693 Da
  • ChemSpider ID61565464

More details:






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

1-Hydroxy-2,3-butandion [German] [ACD/IUPAC Name]
1-Hydroxy-2,3-butanedione [ACD/IUPAC Name]
1-Hydroxy-2,3-butanedione [French] [ACD/IUPAC Name]
2,3-Butanedione, 1-hydroxy- [ACD/Index Name]
114794-47-7 [RN]
MFCD24691954

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

Density: 1.2±0.1 g/cm3
Boiling Point: 153.6±23.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.6 mmHg at 25°C
Enthalpy of Vaporization: 45.5±6.0 kJ/mol
Flash Point: 61.0±19.1 °C
Index of Refraction: 1.427
Molar Refractivity: 22.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.13
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.57
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.57
Polar Surface Area: 54 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 86.3±3.0 cm3

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