α-phenylstyreneic 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:91-48-5

mdl number:mfcd00004252

einecs number:202-069-4

rtecs number:none

brn number:1911342

pubchem number:24898288

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 68.48

2. molar volume (cm³/mol): 187.1

3. isotonic specific volume (90.2k ): 503.8

4. surface tension (dyne/cm): 52.5

5. polarizability (10-24cm3): 27.15

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 3.5

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 37.3

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 281

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 chemical bond stereocenters number: 1

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none