vitamin a acetate vitamin a acetate

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:127-47-9

mdl number:mfcd00019413

einecs number:204-844-2

rtecs number:vh6825000

brn number:1915439

pubchem number:24899372

physical property data

1. melting point (ºc): 57~58

2. refractive index_(n²⁰_d) :1.549

toxicological data

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 105.00

2. molar volume (cm³/mol): 339.0

3. isotonic specific volume (90.2k): 826.7

4. surface tension (dyne/cm): 35.3

5. polarizability (10^-24cm³): 41.62

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: 2

4. number of rotatable chemical bonds: 7

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 596

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: 4

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. found in tobacco leaves.

storage method

storage temperature 2~8ºc

synthesis method

none

purpose

none