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
微信扫一扫打赏
