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13938-22-2 | 3-Buten-2-one, 4-(4-methoxyphenyl)-3-phenyl-, (3E)-
CAS No: 13938-22-2 Catalog No: AG001AWQ MDL No:
Product Description
Catalog Number:
AG001AWQ
Chemical Name:
3-Buten-2-one, 4-(4-methoxyphenyl)-3-phenyl-, (3E)-
CAS Number:
13938-22-2
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
4-(4-methoxyphenyl)-3-phenylbut-3-en-2-one
InChI:
InChI=1S/C17H16O2/c1-13(18)17(15-6-4-3-5-7-15)12-14-8-10-16(19-2)11-9-14/h3-12H,1-2H3
InChI Key:
AJFPBFJFTYMQKK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C(\c1ccccc1)/C(=O)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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