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78227-64-2 | 2-Pentene-1,5-dione, 3-(methylthio)-1,5-diphenyl-
CAS No: 78227-64-2 Catalog No: AG005CHH MDL No:
Product Description
Catalog Number:
AG005CHH
Chemical Name:
2-Pentene-1,5-dione, 3-(methylthio)-1,5-diphenyl-
CAS Number:
78227-64-2
Molecular Formula:
C18H16O2S
Molecular Weight:
296.3834
IUPAC Name:
3-methylsulfanyl-1,5-diphenylpent-2-ene-1,5-dione
InChI:
InChI=1S/C18H16O2S/c1-21-16(12-17(19)14-8-4-2-5-9-14)13-18(20)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChI Key:
DTJWJEDEPXBENO-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1ccccc1)CC(=O)c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.384g/mol
Monoisotopic Mass:
296.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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