ChemSpider 2D Image | 3-methyl-6-oxo-6H-pyran-2-carboxylic acid | C7H6O4

3-methyl-6-oxo-6H-pyran-2-carboxylic acid

  • Molecular FormulaC7H6O4
  • Average mass154.120 Da
  • Monoisotopic mass154.026611 Da
  • ChemSpider ID27017772

More details:

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

2H-Pyran-6-carboxylic acid, 5-methyl-2-oxo- [ACD/Index Name]
3060-42-2 [RN]
3-methyl-6-oxo-6H-pyran-2-carboxylic acid
5-Methyl-2-oxo-2H-pyran-6-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-2-oxo-2H-pyran-6-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-2-oxo-2H-pyrane-6-carboxylique [French] [ACD/IUPAC Name]
[3060-42-2] [RN]

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-45439]
    • Safety:

      20/21/22 Novochemy [NC-45439]
      20/21/36/37/39 Novochemy [NC-45439]
      GHS07; GHS09 Novochemy [NC-45439]
      H332; H403 Novochemy [NC-45439]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-45439]
      Warning Novochemy [NC-45439]
      Xn Novochemy [NC-45439]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 339.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.1±6.0 kJ/mol
Flash Point: 147.9±19.4 °C
Index of Refraction: 1.553
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 108.8±3.0 cm3

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