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13021-18-6 | Ethanone, 1-(4'-methoxy[1,1'-biphenyl]-4-yl)-
CAS No: 13021-18-6 Catalog No: AG000U5L MDL No:
Product Description
Catalog Number:
AG000U5L
Chemical Name:
Ethanone, 1-(4'-methoxy[1,1'-biphenyl]-4-yl)-
CAS Number:
13021-18-6
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
1-[4-(4-methoxyphenyl)phenyl]ethanone
InChI:
InChI=1S/C15H14O2/c1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14/h3-10H,1-2H3
InChI Key:
AITDOOYSOAAUPM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc(cc1)C(=O)C
NSC Number:
179420
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/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 |
|---|---|
| Novel inhibitors of 17beta-hydroxysteroid dehydrogenase type 1: templates for design. | Bioorganic & medicinal chemistry 20080415 |
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