Sodium phenylpyruvic acid monohydrate Phenylpyruvic Acid Sodium Salt Monohydrate
Structural formula
| Business number | 037D |
|---|---|
| Molecular formula | C9H9NaO4 |
| Molecular weight | 204.16 |
| label |
Sodium phenylpyruvate, 2-Oxo-3-phenylpropanoic acid, Phenylpyruvic acid sodium salt, 3-Phenyl-2-oxopropanoic acid sodium salt, aromatic compounds |
Numbering system
CAS number:114-76-1
MDL number:MFCD00002590
EINECS number:204-053-2
RTECS number:None
BRN number:4770978
PubChem number:24898897
Physical property data
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Toxicological data
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Ecological data
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Molecular structure data
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Compute chemical data
1. Hydrophobic parameters Calculate reference value (XlogP）：
2. Hydrogen Bonding Number of donors: 0
3. Number of hydrogen bond acceptors: 3
4. Rotatable Number of chemical bonds: 3
5. Interchange Number of isomers: 2
6. Topological molecules Polar surface area (TPSA）：57.2
7. Heavy atoms Quantity: 13
8. Surface charge ：0
9. Complexity ：185
10. Number of isotope atoms:0
11. Determine the number of atomic stereocenters:0
12. Uncertain number of atomic stereocenters:0
13. Determine the number of stereocenters of chemical bonds:0
14. Uncertain number of chemical bond stereocenters:0
15. Number of covalent bond units: 2
Properties and stability
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Storage method
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Synthesis method
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Purpose
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rial; mso-font-kerning: 0pt”>9. Complexity: 185
10. Number of isotope atoms:0
11. Determine the number of atomic stereocenters:0
12. Uncertain number of atomic stereocenters:0
13. Determine the number of stereocenters of chemical bonds:0
14. Uncertain number of chemical bond stereocenters:0
15. Number of covalent bond units: 2
Properties and stability
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Storage method
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Synthesis method
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Purpose
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