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5031-78-7 | 1-(4-Phenoxyphenyl)ethanone
CAS No: 5031-78-7 Catalog No: AG003LYP MDL No:MFCD00008744
Product Description
Catalog Number:
AG003LYP
Chemical Name:
1-(4-Phenoxyphenyl)ethanone
CAS Number:
5031-78-7
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
MDL Number:
MFCD00008744
IUPAC Name:
1-(4-phenoxyphenyl)ethanone
InChI:
InChI=1S/C14H12O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
InChI Key:
DJNIFZYQFLFGDT-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)Oc1ccccc1
NSC Number:
39658
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Antiviral phenoxathiins and their analogs. Study of the structure-activity relationships for antiviral activity and the replacement ability in poliovirus type 3 dependent variants. | Journal of medicinal chemistry 19700701 |
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