ChemSpider 2D Image | 5-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | C7H6O5

5-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid

  • Molecular FormulaC7H6O5
  • Average mass170.120 Da
  • Monoisotopic mass170.021530 Da
  • ChemSpider ID35034368

More details:






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

4H-Pyran-2-carboxylic acid, 5-hydroxy-6-methyl-4-oxo- [ACD/Index Name]
5-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carbonsäure [German] [ACD/IUPAC Name]
5-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-hydroxy-6-méthyl-4-oxo-4H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
1746-60-7 [RN]
MFCD20647992

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

Density: 1.6±0.1 g/cm3
Boiling Point: 402.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 174.4±22.2 °C
Index of Refraction: 1.619
Molar Refractivity: 36.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 103.8±3.0 cm3

Click to predict properties on the Chemicalize site






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