4-n-butoxyphenol 4-n-butoxyphenol
structural formula
| business number | 03fr |
|---|---|
| molecular formula | c10h14o2 |
| molecular weight | 166.22 |
| label |
p-butoxyphenol, n-butoxyphenol, 4-butoxyphenol, 4-hydroxyphenyl butyl ether, 4-n-butoxyphenol, ch3(ch2)3oc6h4oh, aromatic compounds |
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
