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Sodium 3-methyl-2-oxobutanoate Butanoic acid, 3-methyl-2-oxo-, sodium salt (1:1) EINECS 223-062-2
1. Product advantages
♦ High purity, all above 98.5%, no impurities after dissolution
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Boiling point 170.2ºC at 760 mmHg
Melting point 220-230 °C (dec.)(lit.)
Molecular formula C5H7NaO3
Molecular weight 138.097
Accurate mass 138.029282
PSA 57.20000
Appearance properties white solid
Storage condition
Store sealed in a cool, dry warehouse.
Stability Avoid contact with incompatible materials. It reacts with a strong oxidant.
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None
2. Number of hydrogen bond donors :0
3. Number of hydrogen bond receptors :3
4. Number of rotatable bonds :2
5. Number of tautomers :2
6. Topological molecular polar surface area 57.2
7. Number of heavy atoms :9
8. Surface charge :0
9. Complexity :119
10. Number of isotope atoms :0
11. Determine the number of primary constitutive centers :0
12. Number of indeterminate atomic orthotropic centers :0
13. Determine the number of chemical bond constitutive centers :0
14. Number of uncertain bond constitutive centers :0
15. Number of covalent bond units :2
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