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20427-84-3 | POLYETHYLENE GLYCOL MONO-4-NONYLPHENYL ETHER
CAS No: 20427-84-3 Catalog No: AG00BDDH MDL No:
Product Description
Catalog Number:
AG00BDDH
Chemical Name:
POLYETHYLENE GLYCOL MONO-4-NONYLPHENYL ETHER
CAS Number:
20427-84-3
IUPAC Name:
2-[2-(4-nonylphenoxy)ethoxy]ethanol
InChI:
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
InChI Key:
BLXVTZPGEOGTGG-UHFFFAOYSA-N
UNII:
U4A966MO25
UN Number:
3082
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.235g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.462g/mol
Monoisotopic Mass:
308.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. | Journal of medicinal chemistry 20050908 |
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