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156060-77-4 | Hexanoic acid, 6-(4-formylphenoxy)-, ethyl ester
CAS No: 156060-77-4 Catalog No: AG001OHW MDL No:
Product Description
Catalog Number:
AG001OHW
Chemical Name:
Hexanoic acid, 6-(4-formylphenoxy)-, ethyl ester
CAS Number:
156060-77-4
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
ethyl 6-(4-formylphenoxy)hexanoate
InChI:
InChI=1S/C15H20O4/c1-2-18-15(17)6-4-3-5-11-19-14-9-7-13(12-16)8-10-14/h7-10,12H,2-6,11H2,1H3
InChI Key:
JZLYFLPRFLVNHQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCOc1ccc(cc1)C=O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity relationship of disubstituted benzamides as a novel class of antimalarial agents. | Bioorganic & medicinal chemistry letters 20120715 |
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