5-oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:118-47-8

mdl number:none

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1, moore refractive index: 63.70

2, molar volume (m³/mol): 161.5

3、 isotonic specific volume (90.2k) ：488.5

4, surface tension (dyne/cm):83.5

5、 polarizability (10^-24cm³):25.25

compute chemical data

1. hydrophobic parameters calculate reference value (xlogp）：-0.3

2. hydrogen bonding number of donors: 2

3. hydrogen bonding number of receptors: 7

4. rotatable number of chemical bonds: 3

5. interchange number of isomers: 3

6. topological molecules polar surface area (tpsa):124

7. heavy atoms quantity: 19

8. surface charge ：0

9. complexity ：527

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: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

mainly used as intermediates for dyes, pigments, and pharmaceuticals.

style=”font-size: 9pt; font-family: arial; mso-fareast-font-family: arial”>13, determine the number of stereocenters of chemical bonds:0

14. uncertain number of chemical bond stereocenters:0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

mainly used as intermediates for dyes, pigments, and pharmaceuticals.