β-methylionone β-methylionone

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:127-43-5

mdl number:mfcd00019412

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 66.33

2. molar volume (cm³/mol): 220.1

3. isotonic specific volume (90.2k ): 530.4

4. surface tension (dyne/cm): 33.7

5. polarizability (10^-24cm³): 26.29

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 3.4

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecular polar surface area (tpsa): 17.1

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 305

10. number of isotope atoms : 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the chemical bond configuration number of centers: 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