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
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Toxicological data
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Ecological data
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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
PAN>
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