isoviolanthrone violet isoviolanthrone

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:128-64-3

mdl number:mfcd00021274

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

5. molecular property data:

1. molar refractive index: 145.65

2. molar volume (m³/mol）：306.8

3. isotonic ratio (90.2k)：925.0

4. surface tension (dyne/cm):82.5

polarizability（10^-24cm³):57.74

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 8

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 34.1

7. number of heavy atoms: 36

8. surface charge: 0

9. complexity: 877

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

storage method

none

synthesis method

none

purpose

none