5-oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid
structural formula
| business number | 039t |
|---|---|
| molecular formula | c10h8n2o6s |
| molecular weight | 284.25 |
| label |
heterocyclic compounds |
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.
