Sodium phenylpyruvic acid monohydrate Phenylpyruvic Acid Sodium Salt Monohydrate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
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  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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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