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
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
none yet
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
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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