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121646-02-4 | 2-Propen-1-one, 1-(4-methoxyphenyl)-3-[4-(methylthio)phenyl]-
CAS No: 121646-02-4 Catalog No: AG0015H3 MDL No:
Product Description
Catalog Number:
AG0015H3
Chemical Name:
2-Propen-1-one, 1-(4-methoxyphenyl)-3-[4-(methylthio)phenyl]-
CAS Number:
121646-02-4
Molecular Formula:
C17H16O2S
Molecular Weight:
284.3727
IUPAC Name:
1-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H16O2S/c1-19-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(20-2)11-4-13/h3-12H,1-2H3
InChI Key:
ZGIOCWWESCNBFZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=Cc1ccc(cc1)SC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.373g/mol
Monoisotopic Mass:
284.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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