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87-18-3 | 4-tert-Butylphenyl Salicylate , 98%
CAS No: 87-18-3 Catalog No: AG003M2A MDL No:MFCD00045759
Product Description
Catalog Number:
AG003M2A
Chemical Name:
4-tert-Butylphenyl Salicylate , 98%
CAS Number:
87-18-3
MDL Number:
MFCD00045759
IUPAC Name:
(4-tert-butylphenyl) 2-hydroxybenzoate
InChI:
InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3
InChI Key:
DBOSBRHMHBENLP-UHFFFAOYSA-N
EC Number:
201-728-3
UNII:
V0H9R55TGV
NSC Number:
33404
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay. | Toxicology in vitro : an international journal published in association with BIBRA 20180201 |
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