
structural formula
| business number | 02sq |
|---|---|
| molecular formula | c22h42o4 |
| molecular weight | 370.57 |
| label |
none yet |
numbering system
cas number:106-12-7
mdl number:none
einecs number:203-364-0
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: 109.08
2. molar volume (cm3/mol): 392.6
3. isotonic specific volume (90.2k ): 955.7
4. surface tension (dyne/cm): 35.1
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 43.24
compute chemical data
1. hydrophobic parameter calculation reference value (xlogp): 6.8
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 21
5. number of tautomers:
6. topological molecular polar surface area (tpsa): 55.8
7. number of heavy atoms: 26
8. surface charge: 0
9. complexity: 315
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 number: 1
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

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