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.