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120-44-5 | Ethanone, 1,2-bis(4-methoxyphenyl)-
CAS No: 120-44-5 Catalog No: AG000Q0Y MDL No:MFCD00008406
Product Description
Catalog Number:
AG000Q0Y
Chemical Name:
Ethanone, 1,2-bis(4-methoxyphenyl)-
CAS Number:
120-44-5
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD00008406
IUPAC Name:
1,2-bis(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3
InChI Key:
SICBLYCPRWNHHP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(=O)c1ccc(cc1)OC
EC Number:
204-396-8
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Antiestrogenically active 1,1,2-tris(4-hydroxyphenyl)alkenes without basic side chain: synthesis and biological activity. | Journal of medicinal chemistry 20030410 |
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