2,4,5-t-butyl ester 2,4,5-t-butyl

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:93-79-8

mdl number:none

einecs number:202-277-5

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

1. molar refractive index: 72.55

2. molar volume (cm³/mol): 235.3

3. isotonic specific volume (90.2k ): 595.2

4. surface tension (dyne/cm): 40.9

5. polarizability (10-24cm3): 28.76

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 7

5. number of tautomers: none

6. topological molecule polar surface area 35.5

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 263

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: 0

14. number of uncertain 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

none yet