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89003-28-1 | 2-Propen-1-one, 3-(methylthio)-1,3-diphenyl-, (Z)-
CAS No: 89003-28-1 Catalog No: AG004522 MDL No:
Product Description
Catalog Number:
AG004522
Chemical Name:
2-Propen-1-one, 3-(methylthio)-1,3-diphenyl-, (Z)-
CAS Number:
89003-28-1
Molecular Formula:
C16H14OS
Molecular Weight:
254.3468
IUPAC Name:
3-methylsulfanyl-1,3-diphenylprop-2-en-1-one
InChI:
InChI=1S/C16H14OS/c1-18-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-12H,1H3
InChI Key:
VXQYLHRQSRQQBC-UHFFFAOYSA-N
SMILES:
CS/C(=C\C(=O)c1ccccc1)/c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.347g/mol
Monoisotopic Mass:
254.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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