myrtenal

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:564-94-3

mdl number:mfcd00074768

einecs number:209-274-8

rtecs number:dt5180000

brn number:2961587

pubchem number:24901520

physical property data

1. physical property data

1. boiling point:220-221°c.

toxicological data

none yet

ecological data

none yet

molecular structure data

​

5. molecular property data:

1. molar refractive index:45.86

2. molar volume (m³/mol):141.4

3. isotonic specific volume (90.2k): 356.4

4. surface tension (dyne/cm): 40.2

5. polarizability（10^-24 cm³):18.18

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.1

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 225

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 2

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

surface charge: 0

9. complexity: 225

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 2

13. determined number of chemical bond stereocenters: 0

14. uncertain number of 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