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
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Ecological data
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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.