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5406-86-0 | 2-(4-tert-Butylphenyl)ethanol
CAS No: 5406-86-0 Catalog No: AG003EXN MDL No:MFCD00236023
Product Description
Catalog Number:
AG003EXN
Chemical Name:
2-(4-tert-Butylphenyl)ethanol
CAS Number:
5406-86-0
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD00236023
IUPAC Name:
2-(4-tert-butylphenyl)ethanol
InChI:
InChI=1S/C12H18O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,13H,8-9H2,1-3H3
InChI Key:
NZGMMENPUKHODD-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)C(C)(C)C
EC Number:
410-020-5
UNII:
AES74I7NRU
NSC Number:
5319
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Photodecomposition of an acaricide, fenazaquin, in aqueous alcoholic solution. | Journal of agricultural and food chemistry 20030702 |
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