structural formula
| business number | 03kt |
|---|---|
| molecular formula | c20h30o2 |
| molecular weight | 302.45 |
| label |
aromatic compounds |
numbering system
cas number:127-27-5
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 89.60
2. molar volume (m3/mol）：286.4
3. isotonic specific volume (90.2k):722.6
4. surface tension (dyne/cm):40.5
5. polarizability（10-24cm3):35.52
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):5.5
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers:
6. topological molecular polar surface area (tpsa):37.3
7. number of heavy atoms: 22
8. surface charge: 0
9. complexity: 534
10. number of isotope atoms: 0
number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers:
6. topological molecular polar surface area (tpsa):37.3
7. number of heavy atoms: 22
8. surface charge: 0
9. complexity: 534
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 5
12. the number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
p-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level1 lfo1; tab-stops: list 54.0pt” align=left>11. determine the number of atomic stereocenters: 5
12. the number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
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