4-n-butoxyphenol 4-n-butoxyphenol

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:122-94-1

mdl number:mfcd00002336

einecs number:204-583-4

rtecs number:none

brn number:none

pubchem number:24892093

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1、 molar refractive index:48.71

2, molar volume (m³/mol): 161.3

3、 isotonic ratio (90.2k): 398.3

4、 surface tension (dyne/cm): 37.1

5、 polarizability (10^-24cm³):19.31

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 4

5. number of tautomers: 2

6. topological molecule polar surface area 29.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 106

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

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compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 4

5. number of tautomers: 2

6. topological molecule polar surface area 29.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 106

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet